(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide

C12H16N4OS — CID 35747581

IUPAC(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(C)c1csc(NC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H16N4OS/c1-8(2)10-7-18-12(14-10)15-11(17)9(3)16-6-4-5-13-16/h4-9H,1-3H3,(H,14,15,17)/t9-/m0/s1
InChIKeyPWWXJHADINZFIL-VIFPVBQESA-N
MW264.35 g/mol
LogP2.66
Rot. Bonds4

About (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide

(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 35747581) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
PubChem CID35747581
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESCC(C)c1csc(NC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H16N4OS/c1-8(2)10-7-18-12(14-10)15-11(17)9(3)16-6-4-5-13-16/h4-9H,1-3H3,(H,14,15,17)/t9-/m0/s1
InChIKeyPWWXJHADINZFIL-VIFPVBQESA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
N-[4-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53561194
N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53619910
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56780507
N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802309
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802339
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802356
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56817801
N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56825323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (CID 35747581) is (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is CC(C)c1csc(NC(=O)[C@H](C)n2cccn2)n1.
What is the InChIKey of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is PWWXJHADINZFIL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8(2)10-7-18-12(14-10)15-11(17)9(3)16-6-4-5-13-16/h4-9H,1-3H3,(H,14,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 264.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 35747581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).