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

C12H15N5O2S — CID 64511249

IUPACN-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H15N5O2S/c1-17(6-10-14-8-15-16-10)11(18)2-4-13-12(19)9-3-5-20-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyUYEDMBSQIABAPB-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.64
Rot. Bonds6

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

N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 64511249) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID64511249
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C12H15N5O2S/c1-17(6-10-14-8-15-16-10)11(18)2-4-13-12(19)9-3-5-20-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,19)(H,14,15,16)
InChIKeyUYEDMBSQIABAPB-UHFFFAOYSA-N
XLogP0.64
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 64511381
N-[3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803022
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
N-[3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18113918
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[4-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 78803151
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
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 64511249) is N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is CN(Cc1ncn[nH]1)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is UYEDMBSQIABAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17(6-10-14-8-15-16-10)11(18)2-4-13-12(19)9-3-5-20-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,19)(H,14,15,16).
What are the key properties of N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 64511249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).