methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate

C11H17N3O3S — CID 110359921

IUPACmethyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H17N3O3S/c1-16-11(15)12-6-10-13-9(8-18-10)7-14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyYSWSJVPHICPEEL-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.83
Rot. Bonds4

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

methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 110359921) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID110359921
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCOC(=O)NCc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H17N3O3S/c1-16-11(15)12-6-10-13-9(8-18-10)7-14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyYSWSJVPHICPEEL-UHFFFAOYSA-N
XLogP0.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110359915
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359917
3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359916
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110357360
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopentanesulfonamide
CID 110357349
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386987

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 110359921) is methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate is COC(=O)NCc1nc(CN2CCOCC2)cs1.
What is the InChIKey of methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is YSWSJVPHICPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-16-11(15)12-6-10-13-9(8-18-10)7-14-2-4-17-5-3-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate?
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 271.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 110359921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).