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

C7H10N2S — CID 3896896

IUPAC(4-cyclopropyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(C2CC2)cs1
InChIInChI=1S/C7H10N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-3,8H2
InChIKeyCQIWKLBEIZIGBA-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.48
Rot. Bonds2

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

(4-cyclopropyl-1,3-thiazol-2-yl)methanamine (PubChem CID 3896896) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-thiazol-2-yl)methanamine
PubChem CID3896896
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name(4-cyclopropyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(C2CC2)cs1
InChIInChI=1S/C7H10N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-3,8H2
InChIKeyCQIWKLBEIZIGBA-UHFFFAOYSA-N
XLogP1.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-cyclopropyl-1,3-thiazol-2-yl)methanamine (CID 3896896) is (4-cyclopropyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-1,3-thiazol-2-yl)methanamine is NCc1nc(C2CC2)cs1.
What is the InChIKey of (4-cyclopropyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is CQIWKLBEIZIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-3-7-9-6(4-10-7)5-1-2-5/h4-5H,1-3,8H2.
What are the key properties of (4-cyclopropyl-1,3-thiazol-2-yl)methanamine?
(4-cyclopropyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 154.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 3896896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).