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

C12H18N4S — CID 114362007

IUPAC[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2cncn2C)sc1CN
InChIInChI=1S/C12H18N4S/c1-8(2)4-9-11(5-13)17-12(15-9)10-6-14-7-16(10)3/h6-8H,4-5,13H2,1-3H3
InChIKeyOQETXCCJKGQQEL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.20
Rot. Bonds4

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

[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362007) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362007
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(-c2cncn2C)sc1CN
InChIInChI=1S/C12H18N4S/c1-8(2)4-9-11(5-13)17-12(15-9)10-6-14-7-16(10)3/h6-8H,4-5,13H2,1-3H3
InChIKeyOQETXCCJKGQQEL-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362007) is [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(-c2cncn2C)sc1CN.
What is the InChIKey of [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OQETXCCJKGQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)4-9-11(5-13)17-12(15-9)10-6-14-7-16(10)3/h6-8H,4-5,13H2,1-3H3.
What are the key properties of [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylimidazol-4-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).