5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine

C10H13N3S3 — CID 43249989

IUPAC5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCCc1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C10H13N3S3/c1-2-3-8-13-7(5-14-8)6-15-9-4-12-10(11)16-9/h4-5H,2-3,6H2,1H3,(H2,11,12)
InChIKeyOFAIWWALLPMPIK-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.43
Rot. Bonds5

About 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine

5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249989) has the molecular formula C10H13N3S3 and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249989
Molecular FormulaC10H13N3S3
Molecular Weight271.44 g/mol
Exact Mass271.03
IUPAC Name5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESCCCc1nc(CSc2cnc(N)s2)cs1
InChIInChI=1S/C10H13N3S3/c1-2-3-8-13-7(5-14-8)6-15-9-4-12-10(11)16-9/h4-5H,2-3,6H2,1H3,(H2,11,12)
InChIKeyOFAIWWALLPMPIK-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 43249989) is 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is CCCc1nc(CSc2cnc(N)s2)cs1.
What is the InChIKey of 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is OFAIWWALLPMPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S3/c1-2-3-8-13-7(5-14-8)6-15-9-4-12-10(11)16-9/h4-5H,2-3,6H2,1H3,(H2,11,12).
What are the key properties of 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine?
5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 271.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).