N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide

C15H17N3O2S2 — CID 802145

IUPACN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H17N3O2S2/c1-3-4-13(19)17-14(21)18-15-16-12(9-22-15)10-5-7-11(20-2)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyIUWNVIZFFAAYND-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.43
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide

N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide (PubChem CID 802145) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide
PubChem CID802145
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide
SMILESCCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H17N3O2S2/c1-3-4-13(19)17-14(21)18-15-16-12(9-22-15)10-5-7-11(20-2)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyIUWNVIZFFAAYND-UHFFFAOYSA-N
XLogP3.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
ML277
CID 53347902
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
Tioxamast
CID 68927
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide (CID 802145) is N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide is CCCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide?
The InChIKey is IUWNVIZFFAAYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-3-4-13(19)17-14(21)18-15-16-12(9-22-15)10-5-7-11(20-2)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,21).
What are the key properties of N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide?
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide has a molecular weight of 335.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]butanamide is sourced from PubChem (CID 802145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).