4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine

C5H6ClFN2S — CID 130504198

IUPAC4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine
SMILESFCCNc1nc(Cl)cs1
InChIInChI=1S/C5H6ClFN2S/c6-4-3-10-5(9-4)8-2-1-7/h3H,1-2H2,(H,8,9)
InChIKeyZRMICFCXHSLGMQ-UHFFFAOYSA-N
MW180.63 g/mol
LogP2.18
Rot. Bonds3

About 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine

4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine (PubChem CID 130504198) has the molecular formula C5H6ClFN2S and a molecular weight of 180.63 g/mol. Its IUPAC name is 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine
PubChem CID130504198
Molecular FormulaC5H6ClFN2S
Molecular Weight180.63 g/mol
Exact Mass179.99
IUPAC Name4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine
SMILESFCCNc1nc(Cl)cs1
InChIInChI=1S/C5H6ClFN2S/c6-4-3-10-5(9-4)8-2-1-7/h3H,1-2H2,(H,8,9)
InChIKeyZRMICFCXHSLGMQ-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine (CID 130504198) is 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine is FCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ZRMICFCXHSLGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2S/c6-4-3-10-5(9-4)8-2-1-7/h3H,1-2H2,(H,8,9).
What are the key properties of 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine?
4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 180.63 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-fluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130504198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).