1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea

C10H15N3OS — CID 115618022

IUPAC1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)NC1CCC1
InChIInChI=1S/C10H15N3OS/c14-10(13-8-2-1-3-8)12-5-4-9-11-6-7-15-9/h6-8H,1-5H2,(H2,12,13,14)
InChIKeyZIMQCBRSAHAKBK-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.54
Rot. Bonds4

About 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea

1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 115618022) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID115618022
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESO=C(NCCc1nccs1)NC1CCC1
InChIInChI=1S/C10H15N3OS/c14-10(13-8-2-1-3-8)12-5-4-9-11-6-7-15-9/h6-8H,1-5H2,(H2,12,13,14)
InChIKeyZIMQCBRSAHAKBK-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
1-[(3S)-1-ethylpiperidin-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 94400531
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311421
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
CID 110645469
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 115618022) is 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea is O=C(NCCc1nccs1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is ZIMQCBRSAHAKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(13-8-2-1-3-8)12-5-4-9-11-6-7-15-9/h6-8H,1-5H2,(H2,12,13,14).
What are the key properties of 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea?
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 225.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 115618022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).