1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea

C9H13N3OS — CID 115617610

IUPAC1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC2CCC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-5-10-9(14-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyBUSKOSWCFFKCTL-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.13
Rot. Bonds2

About 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea

1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 115617610) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID115617610
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC2CCC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-5-10-9(14-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyBUSKOSWCFFKCTL-UHFFFAOYSA-N
XLogP2.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 154834706
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
CID 126934316
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
N-cyclopropyl-2-[(5-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 131107656
trans-(1R,2R)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 2304237
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 115617610) is 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NC2CCC2)s1.
What is the InChIKey of 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is BUSKOSWCFFKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-5-10-9(14-6)12-8(13)11-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 211.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 115617610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).