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

C12H14N4OS — CID 33340942

IUPAC(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cccn1
InChIInChI=1S/C12H14N4OS/c1-8(16-6-2-5-13-16)11(17)15-12-14-10(7-18-12)9-3-4-9/h2,5-9H,3-4H2,1H3,(H,14,15,17)/t8-/m0/s1
InChIKeyJHWJXYXOMDLQRR-QMMMGPOBSA-N
MW262.34 g/mol
LogP2.42
Rot. Bonds4

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

(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (PubChem CID 33340942) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
PubChem CID33340942
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
SMILESC[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cccn1
InChIInChI=1S/C12H14N4OS/c1-8(16-6-2-5-13-16)11(17)15-12-14-10(7-18-12)9-3-4-9/h2,5-9H,3-4H2,1H3,(H,14,15,17)/t8-/m0/s1
InChIKeyJHWJXYXOMDLQRR-QMMMGPOBSA-N
XLogP2.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide (CID 33340942) is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is C[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cccn1.
What is the InChIKey of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
The InChIKey is JHWJXYXOMDLQRR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(16-6-2-5-13-16)11(17)15-12-14-10(7-18-12)9-3-4-9/h2,5-9H,3-4H2,1H3,(H,14,15,17)/t8-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide?
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide has a molecular weight of 262.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 33340942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).