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

C9H15N3OS — CID 115612251

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1scnc1C
InChIInChI=1S/C9H15N3OS/c1-3-4-10-9(13)11-5-8-7(2)12-6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyNLSCKCHGEOPOHY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.66
Rot. Bonds4

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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea (PubChem CID 115612251) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
PubChem CID115612251
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1scnc1C
InChIInChI=1S/C9H15N3OS/c1-3-4-10-9(13)11-5-8-7(2)12-6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyNLSCKCHGEOPOHY-UHFFFAOYSA-N
XLogP1.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 107839922
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
1-(2-hydroxy-3-methylpentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111338458
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
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
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 71933227
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea (CID 115612251) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea is CCCNC(=O)NCc1scnc1C.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea?
The InChIKey is NLSCKCHGEOPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-4-10-9(13)11-5-8-7(2)12-6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea has a molecular weight of 213.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea is sourced from PubChem (CID 115612251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).