4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

C13H19N3OS2 — CID 752651

IUPAC4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S
InChIInChI=1S/C13H19N3OS2/c1-2-8-16-11(14)10(19-13(16)18)12(17)15-9-6-4-3-5-7-9/h2,9H,1,3-8,14H2,(H,15,17)
InChIKeyNRVRSTUNOBBWLO-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.11
Rot. Bonds4

About 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 752651) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID752651
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESC=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S
InChIInChI=1S/C13H19N3OS2/c1-2-8-16-11(14)10(19-13(16)18)12(17)15-9-6-4-3-5-7-9/h2,9H,1,3-8,14H2,(H,15,17)
InChIKeyNRVRSTUNOBBWLO-UHFFFAOYSA-N
XLogP3.11
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-Amino-N-cyclohexyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752652
3-Allyl-4-amino-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 866379
4-Amino-N-cyclopentyl-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 3370988
4-amino-N-butyl-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 5141611
4-amino-N,3-dicyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 20110496
4-amino-N-cyclohexyl-3-[3-(diethylamino)propyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 46287497
4-Amino-5-(azepane-1-carbonyl)-3-(prop-2-EN-1-YL)-2,3-dihydro-1,3-thiazole-2-thione
CID 46287573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 752651) is 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is C=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S.
What is the InChIKey of 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is NRVRSTUNOBBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-2-8-16-11(14)10(19-13(16)18)12(17)15-9-6-4-3-5-7-9/h2,9H,1,3-8,14H2,(H,15,17).
What are the key properties of 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 297.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclohexyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 752651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).