1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C11H17N3O2S — CID 111104255

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N(CCO)C1CC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)6-12-11(16)14(4-5-15)9-2-3-9/h7,9,15H,2-6H2,1H3,(H,12,16)
InChIKeyUFLZLNQDBCVMLA-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.12
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 111104255) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID111104255
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)N(CCO)C1CC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)6-12-11(16)14(4-5-15)9-2-3-9/h7,9,15H,2-6H2,1H3,(H,12,16)
InChIKeyUFLZLNQDBCVMLA-UHFFFAOYSA-N
XLogP1.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
2-[cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
CID 115882343
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 110904170
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 111104255) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is UFLZLNQDBCVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)6-12-11(16)14(4-5-15)9-2-3-9/h7,9,15H,2-6H2,1H3,(H,12,16).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 255.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 111104255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).