(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

C11H13N5OS — CID 37352679

IUPAC(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cncn1
InChIInChI=1S/C11H13N5OS/c1-7(16-6-12-5-13-16)10(17)15-11-14-9(4-18-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15,17)/t7-/m0/s1
InChIKeyYNIYCKUHPOOTQH-ZETCQYMHSA-N
MW263.33 g/mol
LogP1.81
Rot. Bonds4

About (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide

(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 37352679) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID37352679
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cncn1
InChIInChI=1S/C11H13N5OS/c1-7(16-6-12-5-13-16)10(17)15-11-14-9(4-18-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15,17)/t7-/m0/s1
InChIKeyYNIYCKUHPOOTQH-ZETCQYMHSA-N
XLogP1.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide (CID 37352679) is (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is C[C@@H](C(=O)Nc1nc(C2CC2)cs1)n1cncn1.
What is the InChIKey of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YNIYCKUHPOOTQH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7(16-6-12-5-13-16)10(17)15-11-14-9(4-18-11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15,17)/t7-/m0/s1.
What are the key properties of (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 263.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 37352679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).