5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine

C10H13N3S — CID 104599646

IUPAC5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccn(C)c2)s1
InChIInChI=1S/C10H13N3S/c1-8-5-11-10(14-8)12-6-9-3-4-13(2)7-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyAUPURLTXKIXTQI-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.40
Rot. Bonds3

About 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine

5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 104599646) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID104599646
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cnc(NCc2ccn(C)c2)s1
InChIInChI=1S/C10H13N3S/c1-8-5-11-10(14-8)12-6-9-3-4-13(2)7-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyAUPURLTXKIXTQI-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-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

2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 298680
3-(1H-pyrrol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 3239524
N-(3-methylbutyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29134018
4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715102
5-(1,1,1,2,3,3-Hexafluoropropan-2-yl)-2-pyrrol-1-yl-1,3-thiazole
CID 141237141
4-(1H-pyrrol-1-yl)-N-(thiazol-2-yl)butanamide
CID 49671029
N-(5-bromo-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 126458636
5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole
CID 4715084
4-Propan-2-yl-2-pyrrol-1-yl-1,3-thiazole
CID 21760627
4-Tert-butyl-2-pyrrol-1-yl-1,3-thiazole
CID 23191351
4,5-Dimethyl-2-pyrrol-1-yl-1,3-thiazole
CID 61467607
[5-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]-1H-pyrrol-2-yl]cyanamide
CID 90945481

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine (CID 104599646) is 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is Cc1cnc(NCc2ccn(C)c2)s1.
What is the InChIKey of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is AUPURLTXKIXTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-5-11-10(14-8)12-6-9-3-4-13(2)7-9/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine?
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 207.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 104599646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).