1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea

C10H17N3OS — CID 110747837

IUPAC1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-3-5-11-10(14)12-6-4-9-8(2)13-7-15-9/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyOXRMAOZMAZOPCY-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea (PubChem CID 110747837) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
PubChem CID110747837
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-3-5-11-10(14)12-6-4-9-8(2)13-7-15-9/h7H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyOXRMAOZMAZOPCY-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea (CID 110747837) is 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1scnc1C.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea?
The InChIKey is OXRMAOZMAZOPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-5-11-10(14)12-6-4-9-8(2)13-7-15-9/h7H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea?
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea has a molecular weight of 227.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110747837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).