N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

C12H16N4S — CID 118754279

IUPACN-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1-c1ccn(C)n1
InChIInChI=1S/C12H16N4S/c1-8-11(10-5-6-16(2)15-10)17-12(14-8)13-7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyBCPNWGJTVCLOJT-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.67
Rot. Bonds4

About N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine

N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 118754279) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID118754279
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC2CC2)sc1-c1ccn(C)n1
InChIInChI=1S/C12H16N4S/c1-8-11(10-5-6-16(2)15-10)17-12(14-8)13-7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyBCPNWGJTVCLOJT-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (CID 118754279) is N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is Cc1nc(NCC2CC2)sc1-c1ccn(C)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BCPNWGJTVCLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-11(10-5-6-16(2)15-10)17-12(14-8)13-7-9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118754279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).