4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide

C19H19ClF2N4OS — CID 89425541

IUPAC4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide
SMILESC[C@H](F)C[C@@](C)(CNc1nc2c(Cl)ccc(C(N)=O)c2s1)c1ncccc1F
InChIInChI=1S/C19H19ClF2N4OS/c1-10(21)8-19(2,16-13(22)4-3-7-24-16)9-25-18-26-14-12(20)6-5-11(17(23)27)15(14)28-18/h3-7,10H,8-9H2,1-2H3,(H2,23,27)(H,25,26)/t10-,19-/m0/s1
InChIKeyNITPMZJTTYFGMS-OVWNDWIMSA-N
MW424.90 g/mol
LogP4.70
Rot. Bonds7

About 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide

4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide (PubChem CID 89425541) has the molecular formula C19H19ClF2N4OS and a molecular weight of 424.90 g/mol. Its IUPAC name is 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide
PubChem CID89425541
Molecular FormulaC19H19ClF2N4OS
Molecular Weight424.90 g/mol
Exact Mass424.09
IUPAC Name4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide
SMILESC[C@H](F)C[C@@](C)(CNc1nc2c(Cl)ccc(C(N)=O)c2s1)c1ncccc1F
InChIInChI=1S/C19H19ClF2N4OS/c1-10(21)8-19(2,16-13(22)4-3-7-24-16)9-25-18-26-14-12(20)6-5-11(17(23)27)15(14)28-18/h3-7,10H,8-9H2,1-2H3,(H2,23,27)(H,25,26)/t10-,19-/m0/s1
InChIKeyNITPMZJTTYFGMS-OVWNDWIMSA-N
XLogP4.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-1,3-benzothiazole-7-carboxamide
CID 89154417
[2-(3-fluoro-2-pyridinyl)-4-methylpentan-2-yl]phosphane
CID 144912457
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)propan-1-ol
CID 55276302
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362606
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
4-[[(1R)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 161327340
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide
CID 67459860
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
CID 106357820
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
CID 140528330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide?
The IUPAC name of 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide (CID 89425541) is 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide is C[C@H](F)C[C@@](C)(CNc1nc2c(Cl)ccc(C(N)=O)c2s1)c1ncccc1F.
What is the InChIKey of 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide?
The InChIKey is NITPMZJTTYFGMS-OVWNDWIMSA-N. The full InChI is InChI=1S/C19H19ClF2N4OS/c1-10(21)8-19(2,16-13(22)4-3-7-24-16)9-25-18-26-14-12(20)6-5-11(17(23)27)15(14)28-18/h3-7,10H,8-9H2,1-2H3,(H2,23,27)(H,25,26)/t10-,19-/m0/s1.
What are the key properties of 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide?
4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide has a molecular weight of 424.90 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2S,4S)-4-fluoro-2-(3-fluoro-2-pyridinyl)-2-methylpentyl]amino]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 89425541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).