4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

C16H19N3O3S2 — CID 27451372

IUPAC4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(C[C@H]2CCCO2)c1N
InChIInChI=1S/C16H19N3O3S2/c1-21-12-7-3-2-6-11(12)18-15(20)13-14(17)19(16(23)24-13)9-10-5-4-8-22-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyUHCCANNBPCEYBE-SNVBAGLBSA-N
MW365.48 g/mol
LogP3.30
Rot. Bonds5

About 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide

4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (PubChem CID 27451372) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
PubChem CID27451372
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc(=S)n(C[C@H]2CCCO2)c1N
InChIInChI=1S/C16H19N3O3S2/c1-21-12-7-3-2-6-11(12)18-15(20)13-14(17)19(16(23)24-13)9-10-5-4-8-22-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyUHCCANNBPCEYBE-SNVBAGLBSA-N
XLogP3.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-benzyl-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 22333700
1-(2-methoxyphenyl)-3-[2-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410358
4-amino-3-(3,4-dimethylphenyl)-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3538175
4-amino-3-benzyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 42585843
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
4-amino-3-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 752639
N-(2-methoxyphenyl)-2-[[5-methyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1162739
N-(2-methoxyphenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 3168723
N-(2-methoxyphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1169936
1-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2910234
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide
CID 42879541

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide (CID 27451372) is 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is COc1ccccc1NC(=O)c1sc(=S)n(C[C@H]2CCCO2)c1N.
What is the InChIKey of 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
The InChIKey is UHCCANNBPCEYBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-21-12-7-3-2-6-11(12)18-15(20)13-14(17)19(16(23)24-13)9-10-5-4-8-22-10/h2-3,6-7,10H,4-5,8-9,17H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide?
4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27451372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).