N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C20H20N4O2S — CID 78784342

IUPACN'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-17(27-20(21-13)15-7-5-4-6-8-15)19(26)23-22-18(25)14-9-11-16(12-10-14)24(2)3/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQSKWCLAKERIKGO-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.26
Rot. Bonds4

About N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 78784342) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID78784342
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-17(27-20(21-13)15-7-5-4-6-8-15)19(26)23-22-18(25)14-9-11-16(12-10-14)24(2)3/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQSKWCLAKERIKGO-UHFFFAOYSA-N
XLogP3.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55454420
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970481
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-(1,2,2-trichloroethenyl)urea
CID 2797681
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 78784342) is N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is QSKWCLAKERIKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-17(27-20(21-13)15-7-5-4-6-8-15)19(26)23-22-18(25)14-9-11-16(12-10-14)24(2)3/h4-12H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 380.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 78784342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).