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

C10H17N3OS — CID 115680005

IUPAC1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-5-11-10(14)13-8(3)9-12-6-7(2)15-9/h6,8H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeySWMXTJWAAOCJGN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.22
Rot. Bonds4

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

1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea (PubChem CID 115680005) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
PubChem CID115680005
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-5-11-10(14)13-8(3)9-12-6-7(2)15-9/h6,8H,4-5H2,1-3H3,(H2,11,13,14)
InChIKeySWMXTJWAAOCJGN-UHFFFAOYSA-N
XLogP2.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 71867669
3-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981652
4-(2,2-difluoroethyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 84592989
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
1-Cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
1-(4-Hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868151
N,N-dimethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
CID 71868531
1-Cyclobutyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3,3,3-trifluoropropyl)urea
CID 71922880
3-Ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981834
1-[2-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-3-prop-2-ynylurea
CID 71994426

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea (CID 115680005) is 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea is CCCNC(=O)NC(C)c1ncc(C)s1.
What is the InChIKey of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea?
The InChIKey is SWMXTJWAAOCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-5-11-10(14)13-8(3)9-12-6-7(2)15-9/h6,8H,4-5H2,1-3H3,(H2,11,13,14).
What are the key properties of 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea?
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea has a molecular weight of 227.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea is sourced from PubChem (CID 115680005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).