2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate

C8H13N3O2S — CID 83202397

IUPAC2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
SMILESCc1ncsc1CNCCOC(N)=O
InChIInChI=1S/C8H13N3O2S/c1-6-7(14-5-11-6)4-10-2-3-13-8(9)12/h5,10H,2-4H2,1H3,(H2,9,12)
InChIKeyCIHTUHCFOKRZED-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.64
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate (PubChem CID 83202397) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
PubChem CID83202397
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
SMILESCc1ncsc1CNCCOC(N)=O
InChIInChI=1S/C8H13N3O2S/c1-6-7(14-5-11-6)4-10-2-3-13-8(9)12/h5,10H,2-4H2,1H3,(H2,9,12)
InChIKeyCIHTUHCFOKRZED-UHFFFAOYSA-N
XLogP0.64
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 103699064
3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 103699284
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butanamide
CID 106096010
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
methyl 2-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-3-carboxylate
CID 55171103
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate (CID 83202397) is 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate is Cc1ncsc1CNCCOC(N)=O.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate?
The InChIKey is CIHTUHCFOKRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-7(14-5-11-6)4-10-2-3-13-8(9)12/h5,10H,2-4H2,1H3,(H2,9,12).
What are the key properties of 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate?
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate has a molecular weight of 215.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate is sourced from PubChem (CID 83202397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).