7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C38H29ClF6N10O2S2 — CID 159442135

IUPAC7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESClc1ncnc2scnc12.FC(F)(F)c1ccncc1Oc1ccc(CCNc2ncnc3scnc23)cc1.NCCc1ccc(Oc2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N5OS.C14H13F3N2O.C5H2ClN3S/c20-19(21,22)14-6-7-23-9-15(14)28-13-3-1-12(2-4-13)5-8-24-17-16-18(26-10-25-17)29-11-27-16;15-14(16,17)12-6-8-19-9-13(12)20-11-3-1-10(2-4-11)5-7-18;6-4-3-5(8-1-7-4)10-2-9-3/h1-4,6-7,9-11H,5,8H2,(H,24,25,26);1-4,6,8-9H,5,7,18H2;1-2H
InChIKeyLSHOBJXBPBPSCX-UHFFFAOYSA-N
MW871.29 g/mol
LogP10.08
Rot. Bonds10

About 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 159442135) has the molecular formula C38H29ClF6N10O2S2 and a molecular weight of 871.29 g/mol. Its IUPAC name is 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID159442135
Molecular FormulaC38H29ClF6N10O2S2
Molecular Weight871.29 g/mol
Exact Mass870.15
IUPAC Name7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESClc1ncnc2scnc12.FC(F)(F)c1ccncc1Oc1ccc(CCNc2ncnc3scnc23)cc1.NCCc1ccc(Oc2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F3N5OS.C14H13F3N2O.C5H2ClN3S/c20-19(21,22)14-6-7-23-9-15(14)28-13-3-1-12(2-4-13)5-8-24-17-16-18(26-10-25-17)29-11-27-16;15-14(16,17)12-6-8-19-9-13(12)20-11-3-1-10(2-4-11)5-7-18;6-4-3-5(8-1-7-4)10-2-9-3/h1-4,6-7,9-11H,5,8H2,(H,24,25,26);1-4,6,8-9H,5,7,18H2;1-2H
InChIKeyLSHOBJXBPBPSCX-UHFFFAOYSA-N
XLogP10.08
TPSA159.63 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.29
LogP ≤ 510.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 159442135) is 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Clc1ncnc2scnc12.FC(F)(F)c1ccncc1Oc1ccc(CCNc2ncnc3scnc23)cc1.NCCc1ccc(Oc2cnccc2C(F)(F)F)cc1.
What is the InChIKey of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is LSHOBJXBPBPSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS.C14H13F3N2O.C5H2ClN3S/c20-19(21,22)14-6-7-23-9-15(14)28-13-3-1-12(2-4-13)5-8-24-17-16-18(26-10-25-17)29-11-27-16;15-14(16,17)12-6-8-19-9-13(12)20-11-3-1-10(2-4-11)5-7-18;6-4-3-5(8-1-7-4)10-2-9-3/h1-4,6-7,9-11H,5,8H2,(H,24,25,26);1-4,6,8-9H,5,7,18H2;1-2H.
What are the key properties of 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 871.29 g/mol, XLogP of 10.08, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-[1,3]thiazolo[5,4-d]pyrimidine;2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethanamine;N-[2-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 159442135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).