5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine

C19H32ClN5OS — CID 144818197

IUPAC5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine
SMILESC1COCCN1.CC.CCc1nc2c(NC3CCCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H17ClN4S.C4H9NO.C2H6/c1-2-9-16-10-11(15-8-6-4-3-5-7-8)17-13(14)18-12(10)19-9;1-3-6-4-2-5-1;1-2/h8H,2-7H2,1H3,(H,15,17,18);5H,1-4H2;1-2H3
InChIKeyKTFDUFRMPHUJBB-UHFFFAOYSA-N
MW414.02 g/mol
LogP4.68
Rot. Bonds3

About 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine

5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine (PubChem CID 144818197) has the molecular formula C19H32ClN5OS and a molecular weight of 414.02 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine
PubChem CID144818197
Molecular FormulaC19H32ClN5OS
Molecular Weight414.02 g/mol
Exact Mass413.20
IUPAC Name5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine
SMILESC1COCCN1.CC.CCc1nc2c(NC3CCCCC3)nc(Cl)nc2s1
InChIInChI=1S/C13H17ClN4S.C4H9NO.C2H6/c1-2-9-16-10-11(15-8-6-4-3-5-7-8)17-13(14)18-12(10)19-9;1-3-6-4-2-5-1;1-2/h8H,2-7H2,1H3,(H,15,17,18);5H,1-4H2;1-2H3
InChIKeyKTFDUFRMPHUJBB-UHFFFAOYSA-N
XLogP4.68
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.02
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine with MolForge

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Related Compounds

6-azaspiro[2.5]octane;10-chloro-N-cyclohexyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;ethane
CID 144667797
5,7-dichloro-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 58333778
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
CID 143087711
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-N-cyclopropyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102212
2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 89032813
2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
CID 146275528
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine?
The IUPAC name of 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine (CID 144818197) is 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine?
The canonical SMILES for 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine is C1COCCN1.CC.CCc1nc2c(NC3CCCCC3)nc(Cl)nc2s1.
What is the InChIKey of 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine?
The InChIKey is KTFDUFRMPHUJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S.C4H9NO.C2H6/c1-2-9-16-10-11(15-8-6-4-3-5-7-8)17-13(14)18-12(10)19-9;1-3-6-4-2-5-1;1-2/h8H,2-7H2,1H3,(H,15,17,18);5H,1-4H2;1-2H3.
What are the key properties of 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine?
5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine has a molecular weight of 414.02 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-2-ethyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;ethane;morpholine is sourced from PubChem (CID 144818197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).