N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H16ClN7OS — CID 52920064

IUPACN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
InChIKeyYNZKAADQBOYRBJ-LBPRGKRZSA-N
MW437.92 g/mol
LogP3.74
Rot. Bonds6

About N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 52920064) has the molecular formula C20H16ClN7OS and a molecular weight of 437.92 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID52920064
Molecular FormulaC20H16ClN7OS
Molecular Weight437.92 g/mol
Exact Mass437.08
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
InChIKeyYNZKAADQBOYRBJ-LBPRGKRZSA-N
XLogP3.74
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 52920064) is N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YNZKAADQBOYRBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 437.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52920064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).