N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C17H23N3S — CID 114369512

IUPACN-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cnccc1-c1nc(CC(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H23N3S/c1-11(2)8-15-16(10-19-13-4-5-13)21-17(20-15)14-6-7-18-9-12(14)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3
InChIKeyKUQDHZKMUUPKEQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.96
Rot. Bonds6

About N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114369512) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114369512
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1cnccc1-c1nc(CC(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H23N3S/c1-11(2)8-15-16(10-19-13-4-5-13)21-17(20-15)14-6-7-18-9-12(14)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3
InChIKeyKUQDHZKMUUPKEQ-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine 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-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114369512) is N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1cnccc1-c1nc(CC(C)C)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is KUQDHZKMUUPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-11(2)8-15-16(10-19-13-4-5-13)21-17(20-15)14-6-7-18-9-12(14)3/h6-7,9,11,13,19H,4-5,8,10H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 301.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114369512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).