2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate

C8H13N3O2S — CID 83204866

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
SMILESCc1nc(NCCOC(N)=O)sc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)14-8(11-5)10-3-4-13-7(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyZJUYNYPGUXAJJD-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.27
Rot. Bonds4

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate (PubChem CID 83204866) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
PubChem CID83204866
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
SMILESCc1nc(NCCOC(N)=O)sc1C
InChIInChI=1S/C8H13N3O2S/c1-5-6(2)14-8(11-5)10-3-4-13-7(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyZJUYNYPGUXAJJD-UHFFFAOYSA-N
XLogP1.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.27
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

5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168628
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
CID 65284896
methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
CID 139744684
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106241502
2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
CID 174483066
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
CID 83204723
2-[4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetic acid
CID 139744779
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate (CID 83204866) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate is Cc1nc(NCCOC(N)=O)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate?
The InChIKey is ZJUYNYPGUXAJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-6(2)14-8(11-5)10-3-4-13-7(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate has a molecular weight of 215.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 83204866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).