ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

C8H12N2O2S — CID 4101897

IUPACethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)10-7-9-5(2)6(3)13-7/h4H2,1-3H3,(H,9,10,11)
InChIKeyJLFACGGMHOCQQK-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.33
Rot. Bonds2

About ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate

ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (PubChem CID 4101897) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
PubChem CID4101897
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)10-7-9-5(2)6(3)13-7/h4H2,1-3H3,(H,9,10,11)
InChIKeyJLFACGGMHOCQQK-UHFFFAOYSA-N
XLogP2.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
CID 4832471
Ethyl 4,5-dimethylthiazol-2-ylcarbamoylcarboxylate
CID 12831776
tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate
CID 75412064
tert-butyl N-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]carbamate
CID 151355104
2,2,2-trifluoroethyl N-(dimethyl-1,3-thiazol-2-yl)carbamate
CID 53619519
2,2,2-trifluoroethyl N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamate
CID 65173245
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)urea
CID 108866010
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
CID 130165028
tert-butyl N-{5-[(fluorosulfonyl)methyl]-4-methyl-1,3-thiazol-2-yl}carbamate
CID 165623461
N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 3614282
N-(4,5-dimethyl-1,3-thiazol-2-yl)formamide
CID 3797184
N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 3821943

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate (CID 4101897) is ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is CCOC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is JLFACGGMHOCQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-12-8(11)10-7-9-5(2)6(3)13-7/h4H2,1-3H3,(H,9,10,11).
What are the key properties of ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate?
ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 200.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,5-dimethyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 4101897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).