N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide

C14H17N3OS — CID 174643362

IUPACN',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCCN(CC)NC(=O)c1ncsc1-c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-3-17(4-2)16-14(18)12-13(19-10-15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeySODGHFNOJUDKCL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.80
Rot. Bonds5

About N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide

N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 174643362) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID174643362
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCCN(CC)NC(=O)c1ncsc1-c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-3-17(4-2)16-14(18)12-13(19-10-15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,18)
InChIKeySODGHFNOJUDKCL-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[methyl-(5-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 122111454
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 110650976
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110650765
2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768577
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride
CID 68594748
N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
CID 139011765
N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768576
N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 19768706
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
tert-butyl N-[2-[[5-(3-iodophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54091391

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide (CID 174643362) is N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide is CCN(CC)NC(=O)c1ncsc1-c1ccccc1.
What is the InChIKey of N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is SODGHFNOJUDKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-17(4-2)16-14(18)12-13(19-10-15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide?
N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 275.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 174643362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).