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

C9H15N3O2S — CID 83202234

IUPAC2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
SMILESCc1ncsc1C(C)NCCOC(N)=O
InChIInChI=1S/C9H15N3O2S/c1-6(8-7(2)12-5-15-8)11-3-4-14-9(10)13/h5-6,11H,3-4H2,1-2H3,(H2,10,13)
InChIKeyDEHBKITUAJFAQQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.20
Rot. Bonds5

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

2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate (PubChem CID 83202234) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
PubChem CID83202234
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
SMILESCc1ncsc1C(C)NCCOC(N)=O
InChIInChI=1S/C9H15N3O2S/c1-6(8-7(2)12-5-15-8)11-3-4-14-9(10)13/h5-6,11H,3-4H2,1-2H3,(H2,10,13)
InChIKeyDEHBKITUAJFAQQ-UHFFFAOYSA-N
XLogP1.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.20
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-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 104579913
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
tert-butyl N-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]-N-propylcarbamate
CID 103904692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate (CID 83202234) is 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate is Cc1ncsc1C(C)NCCOC(N)=O.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The InChIKey is DEHBKITUAJFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(8-7(2)12-5-15-8)11-3-4-14-9(10)13/h5-6,11H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate has a molecular weight of 229.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83202234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).