N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide

C14H17N3OS2 — CID 9164002

IUPACN',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NN(C)C)cc1
InChIInChI=1S/C14H17N3OS2/c1-10-4-6-11(7-5-10)12-9-20-14(19)17(12)8-13(18)15-16(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyZTRXQJIXKDNDRD-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.85
Rot. Bonds4

About N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide

N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide (PubChem CID 9164002) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
PubChem CID9164002
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NN(C)C)cc1
InChIInChI=1S/C14H17N3OS2/c1-10-4-6-11(7-5-10)12-9-20-14(19)17(12)8-13(18)15-16(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyZTRXQJIXKDNDRD-UHFFFAOYSA-N
XLogP2.85
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
CID 9414913
N-cyclohexyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9338142
2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
CID 9220959
N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9412036
N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 3951277
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24647566
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 5025384
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24545899
2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24549613
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 2421886
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24539119
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
CID 154805740

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide?
The IUPAC name of N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide (CID 9164002) is N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide.
What is the SMILES notation for N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide?
The canonical SMILES for N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide is Cc1ccc(-c2csc(=S)n2CC(=O)NN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide?
The InChIKey is ZTRXQJIXKDNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10-4-6-11(7-5-10)12-9-20-14(19)17(12)8-13(18)15-16(2)3/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide?
N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide has a molecular weight of 307.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide is sourced from PubChem (CID 9164002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).