1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea

C10H17N3O2S — CID 111338339

IUPAC1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCCC(O)CNC(=O)NCc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-2-3-9(14)5-12-10(15)11-4-8-6-16-7-13-8/h6-7,9,14H,2-5H2,1H3,(H2,11,12,15)
InChIKeyUITMGNUZWSRDSB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.10
Rot. Bonds6

About 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea

1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 111338339) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID111338339
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCCC(O)CNC(=O)NCc1cscn1
InChIInChI=1S/C10H17N3O2S/c1-2-3-9(14)5-12-10(15)11-4-8-6-16-7-13-8/h6-7,9,14H,2-5H2,1H3,(H2,11,12,15)
InChIKeyUITMGNUZWSRDSB-UHFFFAOYSA-N
XLogP1.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65226370
2-methoxy-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 106110193
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111119591
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111450585
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 97224466
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
1-(2-hydroxypentyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111338547

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea (CID 111338339) is 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea is CCCC(O)CNC(=O)NCc1cscn1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is UITMGNUZWSRDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-9(14)5-12-10(15)11-4-8-6-16-7-13-8/h6-7,9,14H,2-5H2,1H3,(H2,11,12,15).
What are the key properties of 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea?
1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 243.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 111338339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).