ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate

C12H21N3O2S — CID 110359539

IUPACethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1nc(CN(CC)CC)cs1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)8-10-9-18-11(14-10)7-13-12(16)17-6-3/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyNLVNEVADSZRXEW-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.23
Rot. Bonds7

About ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate

ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 110359539) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID110359539
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nameethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCCOC(=O)NCc1nc(CN(CC)CC)cs1
InChIInChI=1S/C12H21N3O2S/c1-4-15(5-2)8-10-9-18-11(14-10)7-13-12(16)17-6-3/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyNLVNEVADSZRXEW-UHFFFAOYSA-N
XLogP2.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate with MolForge

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Related Compounds

N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110359516
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)butanamide
CID 110355301
2,4-dichloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359542
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110359488
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-5-(4-methoxyphenyl)pentanamide
CID 110618773
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-methylsulfonylbenzamide
CID 110357262
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613081
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 110359539) is ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate is CCOC(=O)NCc1nc(CN(CC)CC)cs1.
What is the InChIKey of ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is NLVNEVADSZRXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-15(5-2)8-10-9-18-11(14-10)7-13-12(16)17-6-3/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 271.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 110359539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).