2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine

C12H13N3S — CID 104823306

IUPAC2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(C3CC3)sc2N)cn1
InChIInChI=1S/C12H13N3S/c1-7-2-3-9(6-14-7)10-11(13)16-12(15-10)8-4-5-8/h2-3,6,8H,4-5,13H2,1H3
InChIKeyZDOSXPQIJWKFTB-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.97
Rot. Bonds2

About 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine (PubChem CID 104823306) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine
PubChem CID104823306
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine
SMILESCc1ccc(-c2nc(C3CC3)sc2N)cn1
InChIInChI=1S/C12H13N3S/c1-7-2-3-9(6-14-7)10-11(13)16-12(15-10)8-4-5-8/h2-3,6,8H,4-5,13H2,1H3
InChIKeyZDOSXPQIJWKFTB-UHFFFAOYSA-N
XLogP2.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine (CID 104823306) is 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine is Cc1ccc(-c2nc(C3CC3)sc2N)cn1.
What is the InChIKey of 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine?
The InChIKey is ZDOSXPQIJWKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-7-2-3-9(6-14-7)10-11(13)16-12(15-10)8-4-5-8/h2-3,6,8H,4-5,13H2,1H3.
What are the key properties of 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine has a molecular weight of 231.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 104823306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).