1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C12H19N3O2S — CID 111722532

IUPAC1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)N(CCCCO)C2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-8-18-11(13-9)14-12(17)15(10-4-5-10)6-2-3-7-16/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyXHYKZJQAYBZZSB-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.22
Rot. Bonds6

About 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 111722532) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID111722532
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)N(CCCCO)C2CC2)n1
InChIInChI=1S/C12H19N3O2S/c1-9-8-18-11(13-9)14-12(17)15(10-4-5-10)6-2-3-7-16/h8,10,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyXHYKZJQAYBZZSB-UHFFFAOYSA-N
XLogP2.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
2-[(1,1-dioxothiolan-3-yl)-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 61194407
2-acetamido-N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102866785
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 61196097
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98277438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 111722532) is 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)N(CCCCO)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is XHYKZJQAYBZZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-8-18-11(13-9)14-12(17)15(10-4-5-10)6-2-3-7-16/h8,10,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 269.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 111722532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).