1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea

C14H16N4O2S — CID 86835778

IUPAC1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
SMILESCNC(=O)NNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-3-5-10(6-4-9)13-16-11(8-21-13)7-12(19)17-18-14(20)15-2/h3-6,8H,7H2,1-2H3,(H,17,19)(H2,15,18,20)
InChIKeyFGWZNHWTZFLMCD-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea

1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea (PubChem CID 86835778) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea.

Molecular Properties

Compound Name1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
PubChem CID86835778
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
SMILESCNC(=O)NNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H16N4O2S/c1-9-3-5-10(6-4-9)13-16-11(8-21-13)7-12(19)17-18-14(20)15-2/h3-6,8H,7H2,1-2H3,(H,17,19)(H2,15,18,20)
InChIKeyFGWZNHWTZFLMCD-UHFFFAOYSA-N
XLogP1.62
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methylanilino)acetyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetohydrazide
CID 78823652
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 35025092
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-propan-2-yloxybenzohydrazide
CID 24514393
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N'-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]-3-nitrobenzohydrazide
CID 27662809
N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 112816461
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea?
The IUPAC name of 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea (CID 86835778) is 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea.
What is the SMILES notation for 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea?
The canonical SMILES for 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea is CNC(=O)NNC(=O)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea?
The InChIKey is FGWZNHWTZFLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-3-5-10(6-4-9)13-16-11(8-21-13)7-12(19)17-18-14(20)15-2/h3-6,8H,7H2,1-2H3,(H,17,19)(H2,15,18,20).
What are the key properties of 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea?
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea has a molecular weight of 304.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea is sourced from PubChem (CID 86835778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).