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

C6H10N2S — CID 12531961

IUPAC4-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1ncsc1N
InChIInChI=1S/C6H10N2S/c1-4(2)5-6(7)9-3-8-5/h3-4H,7H2,1-2H3
InChIKeyBOPCJXDJCSOVGI-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.85
Rot. Bonds1

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

4-propan-2-yl-1,3-thiazol-5-amine (PubChem CID 12531961) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazol-5-amine
PubChem CID12531961
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-propan-2-yl-1,3-thiazol-5-amine
SMILESCC(C)c1ncsc1N
InChIInChI=1S/C6H10N2S/c1-4(2)5-6(7)9-3-8-5/h3-4H,7H2,1-2H3
InChIKeyBOPCJXDJCSOVGI-UHFFFAOYSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-propan-2-yl-1,3-thiazol-5-amine (CID 12531961) is 4-propan-2-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-propan-2-yl-1,3-thiazol-5-amine is CC(C)c1ncsc1N.
What is the InChIKey of 4-propan-2-yl-1,3-thiazol-5-amine?
The InChIKey is BOPCJXDJCSOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4(2)5-6(7)9-3-8-5/h3-4H,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,3-thiazol-5-amine?
4-propan-2-yl-1,3-thiazol-5-amine has a molecular weight of 142.23 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 12531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).