1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea

C21H28N4O2S — CID 23442545

IUPAC1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
SMILESCc1ccccc1C(=O)c1cnc(NCCCNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C21H28N4O2S/c1-15-8-5-6-11-17(15)19(26)18-14-24-21(28-18)23-13-7-12-22-20(27)25-16-9-3-2-4-10-16/h5-6,8,11,14,16H,2-4,7,9-10,12-13H2,1H3,(H,23,24)(H2,22,25,27)
InChIKeySRDSIJXEWOTQJI-UHFFFAOYSA-N
MW400.55 g/mol
LogP4.12
Rot. Bonds8

About 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea

1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea (PubChem CID 23442545) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
PubChem CID23442545
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
SMILESCc1ccccc1C(=O)c1cnc(NCCCNC(=O)NC2CCCCC2)s1
InChIInChI=1S/C21H28N4O2S/c1-15-8-5-6-11-17(15)19(26)18-14-24-21(28-18)23-13-7-12-22-20(27)25-16-9-3-2-4-10-16/h5-6,8,11,14,16H,2-4,7,9-10,12-13H2,1H3,(H,23,24)(H2,22,25,27)
InChIKeySRDSIJXEWOTQJI-UHFFFAOYSA-N
XLogP4.12
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
CID 23442678
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl cyclohexanecarboxylate
CID 174464186
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
N-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]cyclohexanecarboxamide
CID 91127252
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
(2-methylphenyl)-[2-[2-(1-thiophen-3-ylsulfonylpiperidin-2-yl)ethylamino]-1,3-thiazol-5-yl]methanone
CID 11329001
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 91131674
1-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(4-fluorophenyl)urea
CID 23442749
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea (CID 23442545) is 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea is Cc1ccccc1C(=O)c1cnc(NCCCNC(=O)NC2CCCCC2)s1.
What is the InChIKey of 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea?
The InChIKey is SRDSIJXEWOTQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-15-8-5-6-11-17(15)19(26)18-14-24-21(28-18)23-13-7-12-22-20(27)25-16-9-3-2-4-10-16/h5-6,8,11,14,16H,2-4,7,9-10,12-13H2,1H3,(H,23,24)(H2,22,25,27).
What are the key properties of 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea?
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea has a molecular weight of 400.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea is sourced from PubChem (CID 23442545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).