4-(2-cyclopropylethyl)-1,3-thiazol-2-amine

C8H12N2S — CID 127017249

IUPAC4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CCC2CC2)cs1
InChIInChI=1S/C8H12N2S/c9-8-10-7(5-11-8)4-3-6-1-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyQELZMJKOWCPONG-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.07
Rot. Bonds3

About 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine

4-(2-cyclopropylethyl)-1,3-thiazol-2-amine (PubChem CID 127017249) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
PubChem CID127017249
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CCC2CC2)cs1
InChIInChI=1S/C8H12N2S/c9-8-10-7(5-11-8)4-3-6-1-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKeyQELZMJKOWCPONG-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine (CID 127017249) is 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine is Nc1nc(CCC2CC2)cs1.
What is the InChIKey of 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
The InChIKey is QELZMJKOWCPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-8-10-7(5-11-8)4-3-6-1-2-6/h5-6H,1-4H2,(H2,9,10).
What are the key properties of 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine?
4-(2-cyclopropylethyl)-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 127017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).