1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea

C9H14N2O2S — CID 111486708

IUPAC1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCCCO)s1
InChIInChI=1S/C9H14N2O2S/c1-7-3-4-8(14-7)11-9(13)10-5-2-6-12/h3-4,12H,2,5-6H2,1H3,(H2,10,11,13)
InChIKeyFCSCUJBRDDPUHQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.56
Rot. Bonds4

About 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea

1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea (PubChem CID 111486708) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
PubChem CID111486708
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NCCCO)s1
InChIInChI=1S/C9H14N2O2S/c1-7-3-4-8(14-7)11-9(13)10-5-2-6-12/h3-4,12H,2,5-6H2,1H3,(H2,10,11,13)
InChIKeyFCSCUJBRDDPUHQ-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methylthiophen-2-yl)-3-(2-oxoethyl)urea
CID 117235219
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
CID 111499032
1-(1H-imidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)urea
CID 75389671
1-(3-aminopropyl)-3-(5-chlorothiophen-2-yl)urea
CID 117235314
1-(3-hydroxypropyl)-3-(4-iodo-2-methylphenyl)urea
CID 119026718
1-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)-1-propan-2-ylurea
CID 136529240
5-acetamido-N-(6-hydroxyhexyl)thiophene-2-carboxamide
CID 103919192
1-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-3-(5-methylthiophen-2-yl)urea
CID 71864463
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea (CID 111486708) is 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NCCCO)s1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea?
The InChIKey is FCSCUJBRDDPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-3-4-8(14-7)11-9(13)10-5-2-6-12/h3-4,12H,2,5-6H2,1H3,(H2,10,11,13).
What are the key properties of 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea?
1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea has a molecular weight of 214.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 111486708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).