1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea

C16H22N4OS2 — CID 136528986

IUPAC1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea
SMILESCC(C)(C)c1cnc(NC(=O)NC2(c3nccs3)CCCC2)s1
InChIInChI=1S/C16H22N4OS2/c1-15(2,3)11-10-18-14(23-11)19-13(21)20-16(6-4-5-7-16)12-17-8-9-22-12/h8-10H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyFLWYYUOWORZECA-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.49
Rot. Bonds3

About 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea

1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea (PubChem CID 136528986) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea
PubChem CID136528986
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea
SMILESCC(C)(C)c1cnc(NC(=O)NC2(c3nccs3)CCCC2)s1
InChIInChI=1S/C16H22N4OS2/c1-15(2,3)11-10-18-14(23-11)19-13(21)20-16(6-4-5-7-16)12-17-8-9-22-12/h8-10H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyFLWYYUOWORZECA-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]propanamide;dihydrochloride
CID 119890194
2-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]pentanamide
CID 119890159
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930905
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 126781906
1-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61190474
N-[3-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 131065818
N-phenyl-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]acetamide
CID 71983374
methyl 1-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125113185
1-(4-methyloxan-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 71910482
2-[[1-(4-bromophenyl)cyclohexyl]carbamoylamino]-1,3-thiazole-5-carboxamide
CID 154852433

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea (CID 136528986) is 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea is CC(C)(C)c1cnc(NC(=O)NC2(c3nccs3)CCCC2)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea?
The InChIKey is FLWYYUOWORZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-15(2,3)11-10-18-14(23-11)19-13(21)20-16(6-4-5-7-16)12-17-8-9-22-12/h8-10H,4-7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea?
1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea has a molecular weight of 350.51 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3-thiazol-2-yl)-3-[1-(1,3-thiazol-2-yl)cyclopentyl]urea is sourced from PubChem (CID 136528986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).