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

C7H10N2O2S — CID 110739075

IUPACmethyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc(C)cs1
InChIInChI=1S/C7H10N2O2S/c1-5-4-12-6(9-5)3-8-7(10)11-2/h4H,3H2,1-2H3,(H,8,10)
InChIKeyBENIEYIDJUPAHW-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.31
Rot. Bonds2

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

methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 110739075) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID110739075
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1nc(C)cs1
InChIInChI=1S/C7H10N2O2S/c1-5-4-12-6(9-5)3-8-7(10)11-2/h4H,3H2,1-2H3,(H,8,10)
InChIKeyBENIEYIDJUPAHW-UHFFFAOYSA-N
XLogP1.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
3,6-dichloro-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443046
benzyl N-methylcarbamate;benzyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 160848771
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate (CID 110739075) is methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate is COC(=O)NCc1nc(C)cs1.
What is the InChIKey of methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is BENIEYIDJUPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5-4-12-6(9-5)3-8-7(10)11-2/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate?
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 186.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 110739075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).