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

C14H23N3O2S — CID 111508024

IUPAC3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C14H23N3O2S/c1-3-6-17(7-8-18)14(19)16-12(11-4-5-11)13-15-9-10(2)20-13/h9,11-12,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyIFXVPMUNLZLIKK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.32
Rot. Bonds7

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

3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 111508024) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID111508024
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(c1ncc(C)s1)C1CC1
InChIInChI=1S/C14H23N3O2S/c1-3-6-17(7-8-18)14(19)16-12(11-4-5-11)13-15-9-10(2)20-13/h9,11-12,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyIFXVPMUNLZLIKK-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 95967844
1-[(1R)-1-cyclopropylethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95967933
N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407599
1-cyclopropyl-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 96566132
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97099606
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97099607
(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96565673
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508025
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111508030
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508037
1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 97073699
oxan-4-yl N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 119040587

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea (CID 111508024) is 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC(c1ncc(C)s1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is IFXVPMUNLZLIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-6-17(7-8-18)14(19)16-12(11-4-5-11)13-15-9-10(2)20-13/h9,11-12,18H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 297.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 111508024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).