N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H15N5O2S — CID 18134421

IUPACN-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)NC(=O)NC1CC1
InChIInChI=1S/C14H15N5O2S/c20-12(17-13(21)16-10-6-7-10)8-22-14-15-9-19(18-14)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,16,17,20,21)
InChIKeyIQUTXJHCKSIGGC-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.35
Rot. Bonds5

About N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 18134421) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID18134421
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncn(-c2ccccc2)n1)NC(=O)NC1CC1
InChIInChI=1S/C14H15N5O2S/c20-12(17-13(21)16-10-6-7-10)8-22-14-15-9-19(18-14)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,16,17,20,21)
InChIKeyIQUTXJHCKSIGGC-UHFFFAOYSA-N
XLogP1.35
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42493881
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 2952889
2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
N-(2-phenylpropyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134423
N-benzyl-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55868329
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 7756295
N-(4-bromo-2,3-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126215604
N-[1-(4-chlorophenyl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55496149
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 18134421) is N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1ncn(-c2ccccc2)n1)NC(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IQUTXJHCKSIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c20-12(17-13(21)16-10-6-7-10)8-22-14-15-9-19(18-14)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H2,16,17,20,21).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18134421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).