N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine

C12H17N3S — CID 106569695

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1ccc(CNc2nccn2C(C)C)s1
InChIInChI=1S/C12H17N3S/c1-9(2)15-7-6-13-12(15)14-8-11-5-4-10(3)16-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyNNAOQKCMBYLXLN-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.45
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine

N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine (PubChem CID 106569695) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
PubChem CID106569695
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
SMILESCc1ccc(CNc2nccn2C(C)C)s1
InChIInChI=1S/C12H17N3S/c1-9(2)15-7-6-13-12(15)14-8-11-5-4-10(3)16-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyNNAOQKCMBYLXLN-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106575529
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187
1-cyclopropyl-3-[(5-methylthiophen-2-yl)methylamino]pyrazin-2-one
CID 55154886
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 62058092
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
CID 106581739
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine (CID 106569695) is N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine is Cc1ccc(CNc2nccn2C(C)C)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine?
The InChIKey is NNAOQKCMBYLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(2)15-7-6-13-12(15)14-8-11-5-4-10(3)16-11/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine has a molecular weight of 235.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106569695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).