N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine

C12H15N3S — CID 116867966

IUPACN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-12(2,13-3)11-15-10(8-16-11)9-5-4-6-14-7-9/h4-8,13H,1-3H3
InChIKeyNUJDGNFUJWPELA-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.66
Rot. Bonds3

About N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine

N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 116867966) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID116867966
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H15N3S/c1-12(2,13-3)11-15-10(8-16-11)9-5-4-6-14-7-9/h4-8,13H,1-3H3
InChIKeyNUJDGNFUJWPELA-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867953
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
CID 116965446
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254
2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-N-methylpropan-2-amine
CID 116867951
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine (CID 116867966) is N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine is CNC(C)(C)c1nc(-c2cccnc2)cs1.
What is the InChIKey of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is NUJDGNFUJWPELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-12(2,13-3)11-15-10(8-16-11)9-5-4-6-14-7-9/h4-8,13H,1-3H3.
What are the key properties of N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine?
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 233.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 116867966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).