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

C7H11N3O3S — CID 174499606

IUPACethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
SMILESCCOC(=O)NNc1nc(CO)cs1
InChIInChI=1S/C7H11N3O3S/c1-2-13-7(12)10-9-6-8-5(3-11)4-14-6/h4,11H,2-3H2,1H3,(H,8,9)(H,10,12)
InChIKeyIXCUGRKUZSHPIS-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.71
Rot. Bonds4

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

ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate (PubChem CID 174499606) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
PubChem CID174499606
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Nameethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate
SMILESCCOC(=O)NNc1nc(CO)cs1
InChIInChI=1S/C7H11N3O3S/c1-2-13-7(12)10-9-6-8-5(3-11)4-14-6/h4,11H,2-3H2,1H3,(H,8,9)(H,10,12)
InChIKeyIXCUGRKUZSHPIS-UHFFFAOYSA-N
XLogP0.71
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
ethyl N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]carbamate
CID 110719565
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]butanamide
CID 130668454
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
[[4-[2-(2-hydroxyethylamino)ethyl]-1,3-thiazol-2-yl]amino]carbamic acid
CID 175234328
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[2-(cyclohex-3-en-1-ylidenemethyl)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5061549
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate?
The IUPAC name of ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate (CID 174499606) is ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate.
What is the SMILES notation for ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate?
The canonical SMILES for ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate is CCOC(=O)NNc1nc(CO)cs1.
What is the InChIKey of ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate?
The InChIKey is IXCUGRKUZSHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-2-13-7(12)10-9-6-8-5(3-11)4-14-6/h4,11H,2-3H2,1H3,(H,8,9)(H,10,12).
What are the key properties of ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate?
ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate has a molecular weight of 217.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]carbamate is sourced from PubChem (CID 174499606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).