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

C11H14N4S — CID 114361794

IUPAC[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1cncc1-c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C11H14N4S/c1-15-6-13-5-8(15)11-14-10(7-2-3-7)9(4-12)16-11/h5-7H,2-4,12H2,1H3
InChIKeyRPLMULLSPIHIPZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.88
Rot. Bonds3

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

[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361794) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361794
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1cncc1-c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C11H14N4S/c1-15-6-13-5-8(15)11-14-10(7-2-3-7)9(4-12)16-11/h5-7H,2-4,12H2,1H3
InChIKeyRPLMULLSPIHIPZ-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine (CID 114361794) is [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine is Cn1cncc1-c1nc(C2CC2)c(CN)s1.
What is the InChIKey of [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is RPLMULLSPIHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-15-6-13-5-8(15)11-14-10(7-2-3-7)9(4-12)16-11/h5-7H,2-4,12H2,1H3.
What are the key properties of [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 234.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(3-methylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).