2-chloro-4-cyclopropyl-1,3-thiazol-5-amine

C6H7ClN2S — CID 84766754

IUPAC2-chloro-4-cyclopropyl-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1C1CC1
InChIInChI=1S/C6H7ClN2S/c7-6-9-4(3-1-2-3)5(8)10-6/h3H,1-2,8H2
InChIKeyIGHNNOBADKTFIL-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.26
Rot. Bonds1

About 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine

2-chloro-4-cyclopropyl-1,3-thiazol-5-amine (PubChem CID 84766754) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-4-cyclopropyl-1,3-thiazol-5-amine
PubChem CID84766754
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-chloro-4-cyclopropyl-1,3-thiazol-5-amine
SMILESNc1sc(Cl)nc1C1CC1
InChIInChI=1S/C6H7ClN2S/c7-6-9-4(3-1-2-3)5(8)10-6/h3H,1-2,8H2
InChIKeyIGHNNOBADKTFIL-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine (CID 84766754) is 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine is Nc1sc(Cl)nc1C1CC1.
What is the InChIKey of 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine?
The InChIKey is IGHNNOBADKTFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c7-6-9-4(3-1-2-3)5(8)10-6/h3H,1-2,8H2.
What are the key properties of 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine?
2-chloro-4-cyclopropyl-1,3-thiazol-5-amine has a molecular weight of 174.66 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopropyl-1,3-thiazol-5-amine is sourced from PubChem (CID 84766754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).