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

C13H18N4S — CID 63990435

IUPAC2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc(-c2ccncn2)sc1CNCC(C)C
InChIInChI=1S/C13H18N4S/c1-9(2)6-15-7-12-10(3)17-13(18-12)11-4-5-14-8-16-11/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyAEKINDXKYINNON-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.65
Rot. Bonds5

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

2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 63990435) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID63990435
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc(-c2ccncn2)sc1CNCC(C)C
InChIInChI=1S/C13H18N4S/c1-9(2)6-15-7-12-10(3)17-13(18-12)11-4-5-14-8-16-11/h4-5,8-9,15H,6-7H2,1-3H3
InChIKeyAEKINDXKYINNON-UHFFFAOYSA-N
XLogP2.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-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-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 115568392
N-[(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436305
N-[(4-ethyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82431089
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842149
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625
N-[(2-pyrimidin-4-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 63986832
N-[[4-(methoxymethyl)-2-pyrimidin-4-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366844
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 63990435) is 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is Cc1nc(-c2ccncn2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is AEKINDXKYINNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)6-15-7-12-10(3)17-13(18-12)11-4-5-14-8-16-11/h4-5,8-9,15H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63990435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).