(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine

C12H13N3S — CID 82436375

IUPAC(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(-c2ccncc2)nc1C1CC1
InChIInChI=1S/C12H13N3S/c13-7-10-11(8-1-2-8)15-12(16-10)9-3-5-14-6-4-9/h3-6,8H,1-2,7,13H2
InChIKeyQSEHVFSYXCQNRA-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.54
Rot. Bonds3

About (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine

(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 82436375) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
PubChem CID82436375
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(-c2ccncc2)nc1C1CC1
InChIInChI=1S/C12H13N3S/c13-7-10-11(8-1-2-8)15-12(16-10)9-3-5-14-6-4-9/h3-6,8H,1-2,7,13H2
InChIKeyQSEHVFSYXCQNRA-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanamine
CID 82436315
[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 114361984
(4-cyclopropyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361944
[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361794
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
CID 82436026
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437353
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114361920
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[4-cyclopropyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361923

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine (CID 82436375) is (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine is NCc1sc(-c2ccncc2)nc1C1CC1.
What is the InChIKey of (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is QSEHVFSYXCQNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-7-10-11(8-1-2-8)15-12(16-10)9-3-5-14-6-4-9/h3-6,8H,1-2,7,13H2.
What are the key properties of (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine?
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 231.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82436375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).