N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide

C16H17N3O4S2 — CID 9142196

IUPACN'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C16H17N3O4S2/c1-10-17-13(11-5-3-2-4-6-11)14(24-10)16(21)19-18-15(20)12-7-8-25(22,23)9-12/h2-6,12H,7-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyMVCAFODYZPFKNV-GFCCVEGCSA-N
MW379.46 g/mol
LogP1.31
Rot. Bonds3

About N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide

N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 9142196) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID9142196
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C16H17N3O4S2/c1-10-17-13(11-5-3-2-4-6-11)14(24-10)16(21)19-18-15(20)12-7-8-25(22,23)9-12/h2-6,12H,7-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1
InChIKeyMVCAFODYZPFKNV-GFCCVEGCSA-N
XLogP1.31
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 8940181
N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 95859205
N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methylquinoline-4-carbohydrazide
CID 9082780
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
N'-(1,3-benzodioxole-5-carbonyl)-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9084680
N-[2-[2-[(3R)-1,1-dioxothiolane-3-carbonyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9082212
(3S)-N'-(2-benzylbenzoyl)-1,1-dioxothiolane-3-carbohydrazide
CID 41282814
N'-(1,1-dioxothiolane-3-carbonyl)thieno[3,2-b][1]benzothiole-2-carbohydrazide
CID 56809273
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 26584758
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328

Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide (CID 9142196) is N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)s1.
What is the InChIKey of N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is MVCAFODYZPFKNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-10-17-13(11-5-3-2-4-6-11)14(24-10)16(21)19-18-15(20)12-7-8-25(22,23)9-12/h2-6,12H,7-9H2,1H3,(H,18,20)(H,19,21)/t12-/m1/s1.
What are the key properties of N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 379.46 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1,1-dioxothiolane-3-carbonyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 9142196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).