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

C9H15N3OS — CID 75387967

IUPAC3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCNC(=O)N(C)CCc1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-10-9(13)12(2)6-4-8-11-5-7-14-8/h5,7H,3-4,6H2,1-2H3,(H,10,13)
InChIKeyMBKSMUVWQHVOOD-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.35
Rot. Bonds4

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

3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 75387967) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID75387967
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
SMILESCCNC(=O)N(C)CCc1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-10-9(13)12(2)6-4-8-11-5-7-14-8/h5,7H,3-4,6H2,1-2H3,(H,10,13)
InChIKeyMBKSMUVWQHVOOD-UHFFFAOYSA-N
XLogP1.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110715967
4-(dimethylamino)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110742660
1-methyl-3-(4-methylphenyl)sulfonyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 110747663
3-(3-fluorophenyl)-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 71844410
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
3,4-dichloro-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110715983
4-[[ethyl-[2-(1,3-thiazol-2-yl)ethyl]carbamoyl]amino]butanoic acid
CID 122023020
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
CID 154752113
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655
1-(1,3-thiazol-2-yl)pentan-3-one
CID 58326627
N-ethyl-4-[3-(1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxamide
CID 136524578

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea (CID 75387967) is 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is CCNC(=O)N(C)CCc1nccs1.
What is the InChIKey of 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is MBKSMUVWQHVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-10-9(13)12(2)6-4-8-11-5-7-14-8/h5,7H,3-4,6H2,1-2H3,(H,10,13).
What are the key properties of 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea?
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 213.31 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 75387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).