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

C10H12N4S — CID 66164684

IUPAC[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cncn2C2CC2)s1
InChIInChI=1S/C10H12N4S/c11-3-8-4-13-10(15-8)9-5-12-6-14(9)7-1-2-7/h4-7H,1-3,11H2
InChIKeyLFRNBVRBXNZFJU-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.80
Rot. Bonds3

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

[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 66164684) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID66164684
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2cncn2C2CC2)s1
InChIInChI=1S/C10H12N4S/c11-3-8-4-13-10(15-8)9-5-12-6-14(9)7-1-2-7/h4-7H,1-3,11H2
InChIKeyLFRNBVRBXNZFJU-UHFFFAOYSA-N
XLogP1.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine (CID 66164684) is [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2cncn2C2CC2)s1.
What is the InChIKey of [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LFRNBVRBXNZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-3-8-4-13-10(15-8)9-5-12-6-14(9)7-1-2-7/h4-7H,1-3,11H2.
What are the key properties of [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 220.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 66164684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).