2-chloro-4-propan-2-yl-1,3-thiazol-5-amine

C6H9ClN2S — CID 84767230

IUPAC2-chloro-4-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(Cl)sc1N
InChIInChI=1S/C6H9ClN2S/c1-3(2)4-5(8)10-6(7)9-4/h3H,8H2,1-2H3
InChIKeyZSLFSNILJNBBFF-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.50
Rot. Bonds1

About 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine

2-chloro-4-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 84767230) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-chloro-4-propan-2-yl-1,3-thiazol-5-amine
PubChem CID84767230
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name2-chloro-4-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1nc(Cl)sc1N
InChIInChI=1S/C6H9ClN2S/c1-3(2)4-5(8)10-6(7)9-4/h3H,8H2,1-2H3
InChIKeyZSLFSNILJNBBFF-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine (CID 84767230) is 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine is CC(C)c1nc(Cl)sc1N.
What is the InChIKey of 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is ZSLFSNILJNBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-3(2)4-5(8)10-6(7)9-4/h3H,8H2,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine?
2-chloro-4-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 176.67 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 84767230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).