1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea

C15H19N3OS — CID 110317361

IUPAC1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCc1ccc(-c2nc(CCNC(=O)N(C)C)cs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11-4-6-12(7-5-11)14-17-13(10-20-14)8-9-16-15(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyRYLYGJHAKKGZFZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.93
Rot. Bonds4

About 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea

1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea (PubChem CID 110317361) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
PubChem CID110317361
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
SMILESCc1ccc(-c2nc(CCNC(=O)N(C)C)cs2)cc1
InChIInChI=1S/C15H19N3OS/c1-11-4-6-12(7-5-11)14-17-13(10-20-14)8-9-16-15(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyRYLYGJHAKKGZFZ-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
4-(dimethylamino)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 47093407
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364696
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
4-bromo-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287449
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(4-methylphenyl)oxamide
CID 7216639
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea (CID 110317361) is 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea is Cc1ccc(-c2nc(CCNC(=O)N(C)C)cs2)cc1.
What is the InChIKey of 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
The InChIKey is RYLYGJHAKKGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-4-6-12(7-5-11)14-17-13(10-20-14)8-9-16-15(19)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea?
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea has a molecular weight of 289.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea is sourced from PubChem (CID 110317361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).