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

C13H17N5O2S — CID 64511381

IUPACN-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(CN(C)C(=O)CCNC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9-15-11(17-16-9)7-18(2)12(19)3-5-14-13(20)10-4-6-21-8-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,20)(H,15,16,17)
InChIKeyXLQMGDBCVLUENE-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.95
Rot. Bonds6

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

N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 64511381) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID64511381
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCc1nc(CN(C)C(=O)CCNC(=O)c2ccsc2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-9-15-11(17-16-9)7-18(2)12(19)3-5-14-13(20)10-4-6-21-8-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,20)(H,15,16,17)
InChIKeyXLQMGDBCVLUENE-UHFFFAOYSA-N
XLogP0.95
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511249
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
2-methyl-N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 64512398
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49423955
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 78803151
3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64512190

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide (CID 64511381) is N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide is Cc1nc(CN(C)C(=O)CCNC(=O)c2ccsc2)n[nH]1.
What is the InChIKey of N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is XLQMGDBCVLUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-15-11(17-16-9)7-18(2)12(19)3-5-14-13(20)10-4-6-21-8-10/h4,6,8H,3,5,7H2,1-2H3,(H,14,20)(H,15,16,17).
What are the key properties of N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 64511381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).