N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C15H16ClN3O3S2 — CID 126773295

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-13-4-2-1-3-11(13)9-12-10-17-14(23-12)18-15(20)19-5-7-24(21,22)8-6-19/h1-4,10H,5-9H2,(H,17,18,20)
InChIKeyBYPQIDNMUVFVSW-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.65
Rot. Bonds3

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 126773295) has the molecular formula C15H16ClN3O3S2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID126773295
Molecular FormulaC15H16ClN3O3S2
Molecular Weight385.90 g/mol
Exact Mass385.03
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H16ClN3O3S2/c16-13-4-2-1-3-11(13)9-12-10-17-14(23-12)18-15(20)19-5-7-24(21,22)8-6-19/h1-4,10H,5-9H2,(H,17,18,20)
InChIKeyBYPQIDNMUVFVSW-UHFFFAOYSA-N
XLogP2.65
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide;hydrochloride
CID 163327093
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7177750
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24594565
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 58033163
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838178
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyano-2-methylpropanamide
CID 60779121
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 126773295) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is O=C(Nc1ncc(Cc2ccccc2Cl)s1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is BYPQIDNMUVFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S2/c16-13-4-2-1-3-11(13)9-12-10-17-14(23-12)18-15(20)19-5-7-24(21,22)8-6-19/h1-4,10H,5-9H2,(H,17,18,20).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 126773295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).