2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine

C9H13N3S — CID 102768646

IUPAC2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H13N3S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5,10H2,(H,11,12)
InChIKeyYVHVAWWNMGCXMA-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.25
Rot. Bonds2

About 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine

2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine (PubChem CID 102768646) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
PubChem CID102768646
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H13N3S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5,10H2,(H,11,12)
InChIKeyYVHVAWWNMGCXMA-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine (CID 102768646) is 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine is Nc1cnc(NC2CC=CCC2)s1.
What is the InChIKey of 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine?
The InChIKey is YVHVAWWNMGCXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5,10H2,(H,11,12).
What are the key properties of 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine?
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine has a molecular weight of 195.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).