(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C10H17N5O2S — CID 7352443

IUPAC(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nncn1C(C)C
InChIInChI=1S/C10H17N5O2S/c1-6(2)15-5-12-14-10(15)18-7(3)8(16)13-9(17)11-4/h5-7H,1-4H3,(H2,11,13,16,17)/t7-/m1/s1
InChIKeyZEJWFMDYPZEGFU-SSDOTTSWSA-N
MW271.35 g/mol
LogP0.80
Rot. Bonds4

About (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 7352443) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID7352443
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1nncn1C(C)C
InChIInChI=1S/C10H17N5O2S/c1-6(2)15-5-12-14-10(15)18-7(3)8(16)13-9(17)11-4/h5-7H,1-4H3,(H2,11,13,16,17)/t7-/m1/s1
InChIKeyZEJWFMDYPZEGFU-SSDOTTSWSA-N
XLogP0.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-(cyclopentylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515057
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
N-carbamoyl-3-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 16264678
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8236257
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8292561
2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8957872
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 41594101
N-(ethylcarbamoyl)-2-[[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 49582053
N-(ethylcarbamoyl)-2-[[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 49582068
2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78759418

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 7352443) is (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1nncn1C(C)C.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is ZEJWFMDYPZEGFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-6(2)15-5-12-14-10(15)18-7(3)8(16)13-9(17)11-4/h5-7H,1-4H3,(H2,11,13,16,17)/t7-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
(2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 271.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 7352443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).