[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine

C13H17N3S — CID 114362218

IUPAC[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2cccnc2)sc1CN
InChIInChI=1S/C13H17N3S/c1-9(2)6-11-12(7-14)17-13(16-11)10-4-3-5-15-8-10/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyIRRAWQSBDTVSQR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.86
Rot. Bonds4

About [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine

[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114362218) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114362218
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2cccnc2)sc1CN
InChIInChI=1S/C13H17N3S/c1-9(2)6-11-12(7-14)17-13(16-11)10-4-3-5-15-8-10/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyIRRAWQSBDTVSQR-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine 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-methyl-N-[[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369758
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
[2-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362030
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362007
[4-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114362055
ethane;5-ethyl-4-propyl-2-pyridin-3-yl-1,3-thiazole
CID 178171856
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
[4-(2-methylpropyl)-2-(4-methylthiophen-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114362054
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine (CID 114362218) is [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(-c2cccnc2)sc1CN.
What is the InChIKey of [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is IRRAWQSBDTVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(2)6-11-12(7-14)17-13(16-11)10-4-3-5-15-8-10/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine?
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).