N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C11H13N5O2S — CID 78927721

IUPACN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1nc(NC(=O)CCNC(=O)c2cccs2)n[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)4-5-12-10(18)8-3-2-6-19-8/h2-3,6H,4-5H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeySXXCUHXCKMDJLR-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.93
Rot. Bonds5

About N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 78927721) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID78927721
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1nc(NC(=O)CCNC(=O)c2cccs2)n[nH]1
InChIInChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)4-5-12-10(18)8-3-2-6-19-8/h2-3,6H,4-5H2,1H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeySXXCUHXCKMDJLR-UHFFFAOYSA-N
XLogP0.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 78927721) is N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is Cc1nc(NC(=O)CCNC(=O)c2cccs2)n[nH]1.
What is the InChIKey of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is SXXCUHXCKMDJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-13-11(16-15-7)14-9(17)4-5-12-10(18)8-3-2-6-19-8/h2-3,6H,4-5H2,1H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 78927721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).