1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea

C10H15N3OS — CID 49481828

IUPAC1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1cscn1)NCC1CCC1
InChIInChI=1S/C10H15N3OS/c14-10(11-4-8-2-1-3-8)12-5-9-6-15-7-13-9/h6-8H,1-5H2,(H2,11,12,14)
InChIKeyBZOCBQFJPLTDOL-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.74
Rot. Bonds4

About 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea

1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 49481828) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID49481828
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1cscn1)NCC1CCC1
InChIInChI=1S/C10H15N3OS/c14-10(11-4-8-2-1-3-8)12-5-9-6-15-7-13-9/h6-8H,1-5H2,(H2,11,12,14)
InChIKeyBZOCBQFJPLTDOL-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
1-(1,3-thiazol-4-ylmethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340100
1-(1,3-thiazol-4-ylmethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129340101
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
4-methyl-1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63823966
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea (CID 49481828) is 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea is O=C(NCc1cscn1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is BZOCBQFJPLTDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(11-4-8-2-1-3-8)12-5-9-6-15-7-13-9/h6-8H,1-5H2,(H2,11,12,14).
What are the key properties of 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea?
1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 225.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 49481828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).