N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine

C12H17N3S — CID 79100787

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1nc(C)c(CNn2c(C)ccc2C)s1
InChIInChI=1S/C12H17N3S/c1-8-5-6-9(2)15(8)13-7-12-10(3)14-11(4)16-12/h5-6,13H,7H2,1-4H3
InChIKeySJBYHNVXODRMCP-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.92
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine (PubChem CID 79100787) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
PubChem CID79100787
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
SMILESCc1nc(C)c(CNn2c(C)ccc2C)s1
InChIInChI=1S/C12H17N3S/c1-8-5-6-9(2)15(8)13-7-12-10(3)14-11(4)16-12/h5-6,13H,7H2,1-4H3
InChIKeySJBYHNVXODRMCP-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
CID 121122948
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 64988262
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 64540999
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 64539293
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 64540582

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine (CID 79100787) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine is Cc1nc(C)c(CNn2c(C)ccc2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
The InChIKey is SJBYHNVXODRMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-5-6-9(2)15(8)13-7-12-10(3)14-11(4)16-12/h5-6,13H,7H2,1-4H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).