N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

C17H14ClF3N4O2S — CID 137377542

IUPACN-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCOCC3)nc2cc1Cl)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C17H14ClF3N4O2S/c18-11-6-12-9(7-25(24-12)10-1-3-27-4-2-10)5-13(11)22-15(26)16-23-14(8-28-16)17(19,20)21/h5-8,10H,1-4H2,(H,22,26)
InChIKeyULQKVHOEMKCFEV-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.77
Rot. Bonds3

About N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide

N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (PubChem CID 137377542) has the molecular formula C17H14ClF3N4O2S and a molecular weight of 430.84 g/mol. Its IUPAC name is N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
PubChem CID137377542
Molecular FormulaC17H14ClF3N4O2S
Molecular Weight430.84 g/mol
Exact Mass430.05
IUPAC NameN-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1cc2cn(C3CCOCC3)nc2cc1Cl)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C17H14ClF3N4O2S/c18-11-6-12-9(7-25(24-12)10-1-3-27-4-2-10)5-13(11)22-15(26)16-23-14(8-28-16)17(19,20)21/h5-8,10H,1-4H2,(H,22,26)
InChIKeyULQKVHOEMKCFEV-UHFFFAOYSA-N
XLogP4.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815292
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815453
N-(2-amino-3,3,3-trifluoro-1-phenylpropyl)-5-chloro-4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxamide
CID 44816155
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 67350612
N-(6-amino-2,2-difluorocyclohexyl)-4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075637
N-(6-amino-2,2-difluorocyclohexyl)-4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 75075698
5-chloro-4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluorocyclohexyl]-1,3-thiazole-2-carboxamide
CID 89688169
3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
CID 137377543
4-(5-chloro-6-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[(1R)-2,2-difluoro-6-iminocyclohexyl]-1,3-thiazole-2-carboxamide
CID 143938731
5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide
CID 169251094
6-[(6-Chloro-2-methylindazol-5-yl)amino]-3-(1,3-thiazol-4-ylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]pyrimidine-2,4-dione
CID 170558175
6-[(6-Chloro-2-methylindazol-5-yl)amino]-3-(1,3-thiazol-2-ylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]pyrimidine-2,4-dione
CID 170558192

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide (CID 137377542) is N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is O=C(Nc1cc2cn(C3CCOCC3)nc2cc1Cl)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is ULQKVHOEMKCFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O2S/c18-11-6-12-9(7-25(24-12)10-1-3-27-4-2-10)5-13(11)22-15(26)16-23-14(8-28-16)17(19,20)21/h5-8,10H,1-4H2,(H,22,26).
What are the key properties of N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide?
N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 430.84 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 137377542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).