2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

C14H19ClN4OS — CID 71700812

IUPAC2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1nc(Cl)sc1C(C)C
InChIInChI=1S/C14H19ClN4OS/c1-7(2)12-11(17-14(15)21-12)13(20)16-6-10-8(3)18-19(5)9(10)4/h7H,6H2,1-5H3,(H,16,20)
InChIKeyJDQKDTIVAYVHIQ-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.20
Rot. Bonds4

About 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71700812) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID71700812
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)c1nc(Cl)sc1C(C)C
InChIInChI=1S/C14H19ClN4OS/c1-7(2)12-11(17-14(15)21-12)13(20)16-6-10-8(3)18-19(5)9(10)4/h7H,6H2,1-5H3,(H,16,20)
InChIKeyJDQKDTIVAYVHIQ-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
4-amino-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671009
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 79036395
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671010
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523
3-amino-2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 115930594
3,6-dichloro-2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110443051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 71700812) is 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nn(C)c(C)c1CNC(=O)c1nc(Cl)sc1C(C)C.
What is the InChIKey of 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JDQKDTIVAYVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-7(2)12-11(17-14(15)21-12)13(20)16-6-10-8(3)18-19(5)9(10)4/h7H,6H2,1-5H3,(H,16,20).
What are the key properties of 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 326.85 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71700812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).