ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate

C8H13N3O2S — CID 64556710

IUPACethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C8H13N3O2S/c1-3-13-8(12)11-7-10-6(4-14-7)5(2)9/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyNYQOYMSJEKQYDS-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.73
Rot. Bonds3

About ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate

ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 64556710) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID64556710
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(C(C)N)cs1
InChIInChI=1S/C8H13N3O2S/c1-3-13-8(12)11-7-10-6(4-14-7)5(2)9/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyNYQOYMSJEKQYDS-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4,4-trimethylpentanamide
CID 64556265
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
1-O-ethyl 3-O-methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]propanedioate
CID 139735139
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
(2S)-2-amino-2-[2-(2,2,2-trichloroethoxycarbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 22819001
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151582
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate (CID 64556710) is ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(C(C)N)cs1.
What is the InChIKey of ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is NYQOYMSJEKQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-13-8(12)11-7-10-6(4-14-7)5(2)9/h4-5H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 215.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 64556710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).