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

C10H17N3O2S — CID 83210951

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
SMILESCc1nc(C)c(C(C)NCCOC(N)=O)s1
InChIInChI=1S/C10H17N3O2S/c1-6(12-4-5-15-10(11)14)9-7(2)13-8(3)16-9/h6,12H,4-5H2,1-3H3,(H2,11,14)
InChIKeyGNEKSETWZDIXOC-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.51
Rot. Bonds5

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

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate (PubChem CID 83210951) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
PubChem CID83210951
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
SMILESCc1nc(C)c(C(C)NCCOC(N)=O)s1
InChIInChI=1S/C10H17N3O2S/c1-6(12-4-5-15-10(11)14)9-7(2)13-8(3)16-9/h6,12H,4-5H2,1-3H3,(H2,11,14)
InChIKeyGNEKSETWZDIXOC-UHFFFAOYSA-N
XLogP1.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.51
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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
N-[2-(2-aminoethoxy)ethyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 79479475
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031825
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
CID 63929030
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
tert-butyl N-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 81337805
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]prop-2-enoic acid
CID 103242808
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate (CID 83210951) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate is Cc1nc(C)c(C(C)NCCOC(N)=O)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
The InChIKey is GNEKSETWZDIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(12-4-5-15-10(11)14)9-7(2)13-8(3)16-9/h6,12H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate has a molecular weight of 243.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).