4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C19H15ClF3N5OS — CID 145104564

IUPAC4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Oc2ncccc2-c2csc(NC3=NCCCN3)n2)ccc1Cl
InChIInChI=1S/C19H15ClF3N5OS/c20-14-5-4-11(9-13(14)19(21,22)23)29-16-12(3-1-6-24-16)15-10-30-18(27-15)28-17-25-7-2-8-26-17/h1,3-6,9-10H,2,7-8H2,(H2,25,26,27,28)
InChIKeyPAUIVUVIEKVDKV-UHFFFAOYSA-N
MW453.88 g/mol
LogP5.43
Rot. Bonds4

About 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104564) has the molecular formula C19H15ClF3N5OS and a molecular weight of 453.88 g/mol. Its IUPAC name is 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104564
Molecular FormulaC19H15ClF3N5OS
Molecular Weight453.88 g/mol
Exact Mass453.06
IUPAC Name4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Oc2ncccc2-c2csc(NC3=NCCCN3)n2)ccc1Cl
InChIInChI=1S/C19H15ClF3N5OS/c20-14-5-4-11(9-13(14)19(21,22)23)29-16-12(3-1-6-24-16)15-10-30-18(27-15)28-17-25-7-2-8-26-17/h1,3-6,9-10H,2,7-8H2,(H2,25,26,27,28)
InChIKeyPAUIVUVIEKVDKV-UHFFFAOYSA-N
XLogP5.43
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104213
4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104641
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105115
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104085

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104564) is 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is FC(F)(F)c1cc(Oc2ncccc2-c2csc(NC3=NCCCN3)n2)ccc1Cl.
What is the InChIKey of 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is PAUIVUVIEKVDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5OS/c20-14-5-4-11(9-13(14)19(21,22)23)29-16-12(3-1-6-24-16)15-10-30-18(27-15)28-17-25-7-2-8-26-17/h1,3-6,9-10H,2,7-8H2,(H2,25,26,27,28).
What are the key properties of 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 453.88 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).