methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate

C7H11N3O2S — CID 82506211

IUPACmethyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate
SMILESCOC(=O)Nc1snc(C)c1CN
InChIInChI=1S/C7H11N3O2S/c1-4-5(3-8)6(13-10-4)9-7(11)12-2/h3,8H2,1-2H3,(H,9,11)
InChIKeyNLZJEBIHXRAASN-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.09
Rot. Bonds2

About methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate

methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate (PubChem CID 82506211) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate
PubChem CID82506211
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namemethyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate
SMILESCOC(=O)Nc1snc(C)c1CN
InChIInChI=1S/C7H11N3O2S/c1-4-5(3-8)6(13-10-4)9-7(11)12-2/h3,8H2,1-2H3,(H,9,11)
InChIKeyNLZJEBIHXRAASN-UHFFFAOYSA-N
XLogP1.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]formamide
CID 82503250
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
CID 2820507
5-[(4-amino-2-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 80545102
(4-chloro-3-methyl-1,2-thiazol-5-yl)urea
CID 130775691
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
ethyl N-[4-[(E)-N-benzamido-C-methylcarbonimidoyl]-3-methyl-1,2-thiazol-5-yl]carbamate
CID 135618374
5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81080329
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 104562922
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate?
The IUPAC name of methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate (CID 82506211) is methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate.
What is the SMILES notation for methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate?
The canonical SMILES for methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate is COC(=O)Nc1snc(C)c1CN.
What is the InChIKey of methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate?
The InChIKey is NLZJEBIHXRAASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-5(3-8)6(13-10-4)9-7(11)12-2/h3,8H2,1-2H3,(H,9,11).
What are the key properties of methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate?
methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate has a molecular weight of 201.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(aminomethyl)-3-methyl-1,2-thiazol-5-yl]carbamate is sourced from PubChem (CID 82506211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).