prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate

C8H10N2O2S — CID 20719833

IUPACprop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESC=C(C)OC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H10N2O2S/c1-5(2)12-8(11)10-7-9-6(3)4-13-7/h4H,1H2,2-3H3,(H,9,10,11)
InChIKeyLBVGERYQXIHFTL-UHFFFAOYSA-N
MW198.25 g/mol
LogP2.53
Rot. Bonds2

About prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate

prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 20719833) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID20719833
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Nameprop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate
SMILESC=C(C)OC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H10N2O2S/c1-5(2)12-8(11)10-7-9-6(3)4-13-7/h4H,1H2,2-3H3,(H,9,10,11)
InChIKeyLBVGERYQXIHFTL-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
CID 134008
methyl N-[4-(isoselenocyanatomethyl)-1,3-thiazol-2-yl]carbamate
CID 14962247
methyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
CID 14962244
(4-Hydroxymethylthiazol-2-yl)carbamic acid tert-butyl ester
CID 22280475
tert-butyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117839
Tert-butyl (4-(aminomethyl)thiazol-2-yl)carbamate
CID 53397224
methyl N-[4-(2-iodoethyl)-1,3-thiazol-2-yl]carbamate
CID 14962251
1-(tert-Butyl)-3-(4-methylthiazol-2-yl)urea
CID 727871
2,2,2-trifluoroethyl N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 50989389
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
Tert-butyl (5-fluoro-4-methylthiazol-2-yl)carbamate
CID 45117835

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate (CID 20719833) is prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate is C=C(C)OC(=O)Nc1nc(C)cs1.
What is the InChIKey of prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is LBVGERYQXIHFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5(2)12-8(11)10-7-9-6(3)4-13-7/h4H,1H2,2-3H3,(H,9,10,11).
What are the key properties of prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate?
prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 198.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 20719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).