N-(aminomethyl)-3-methylthiophene-2-carboxamide

C7H10N2OS — CID 169257485

IUPACN-(aminomethyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCN
InChIInChI=1S/C7H10N2OS/c1-5-2-3-11-6(5)7(10)9-4-8/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyAVKDOSHDDRQGAQ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.70
Rot. Bonds2

About N-(aminomethyl)-3-methylthiophene-2-carboxamide

N-(aminomethyl)-3-methylthiophene-2-carboxamide (PubChem CID 169257485) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(aminomethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-methylthiophene-2-carboxamide
PubChem CID169257485
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-(aminomethyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCN
InChIInChI=1S/C7H10N2OS/c1-5-2-3-11-6(5)7(10)9-4-8/h2-3H,4,8H2,1H3,(H,9,10)
InChIKeyAVKDOSHDDRQGAQ-UHFFFAOYSA-N
XLogP0.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
methyl 2-bromo-3-[(3-methylthiophene-2-carbonyl)amino]propanoate
CID 103492454
N-[(2R)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 104872952
N-[(2S)-1-aminopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 130616224
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(aminomethyl)-3-methylthiophene-2-carboxamide (CID 169257485) is N-(aminomethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(aminomethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(aminomethyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCN.
What is the InChIKey of N-(aminomethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is AVKDOSHDDRQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-2-3-11-6(5)7(10)9-4-8/h2-3H,4,8H2,1H3,(H,9,10).
What are the key properties of N-(aminomethyl)-3-methylthiophene-2-carboxamide?
N-(aminomethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 169257485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).