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

C12H19N3OS2 — CID 752652

IUPAC4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC2CCCCC2)sc1=S
InChIInChI=1S/C12H19N3OS2/c1-2-15-10(13)9(18-12(15)17)11(16)14-8-6-4-3-5-7-8/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyZTDNZJCCOHACFV-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.94
Rot. Bonds3

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

4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 752652) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID752652
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCCn1c(N)c(C(=O)NC2CCCCC2)sc1=S
InChIInChI=1S/C12H19N3OS2/c1-2-15-10(13)9(18-12(15)17)11(16)14-8-6-4-3-5-7-8/h8H,2-7,13H2,1H3,(H,14,16)
InChIKeyZTDNZJCCOHACFV-UHFFFAOYSA-N
XLogP2.94
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-Allyl-4-amino-N-cyclohexyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 752651
4-Amino-3-ethyl-5-(1-piperidinylcarbonyl)-1,3-thiazole-2(3H)-thione
CID 5019980
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-3-cyclohexyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 20110357
(4-Amino-3-cyclohexyl-2-sulfanylidene-1,3-thiazol-5-yl)-(azepan-1-yl)methanone
CID 20110491
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-N-cyclopentyl-3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 46287500
N-cyclohexyl-3,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 84324144

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 752652) is 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S.
What is the InChIKey of 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is ZTDNZJCCOHACFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-2-15-10(13)9(18-12(15)17)11(16)14-8-6-4-3-5-7-8/h8H,2-7,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclohexyl-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 285.44 g/mol, XLogP of 2.94, 3 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-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 752652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).