4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

C17H21N3OS2 — CID 890723

IUPAC4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1
InChIInChI=1S/C17H21N3OS2/c1-11-7-9-13(10-8-11)20-15(18)14(23-17(20)22)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21)
InChIKeyIGLSHWMWSSCOLX-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.22
Rot. Bonds3

About 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 890723) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID890723
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1
InChIInChI=1S/C17H21N3OS2/c1-11-7-9-13(10-8-11)20-15(18)14(23-17(20)22)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21)
InChIKeyIGLSHWMWSSCOLX-UHFFFAOYSA-N
XLogP4.22
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 890723) is 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is Cc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1.
What is the InChIKey of 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is IGLSHWMWSSCOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-11-7-9-13(10-8-11)20-15(18)14(23-17(20)22)16(21)19-12-5-3-2-4-6-12/h7-10,12H,2-6,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-cyclohexyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 4.22, 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-(4-methylphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 890723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).