1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate

C8H7N3O2S2 — CID 143406687

IUPAC1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)OCc1nccs1
InChIInChI=1S/C8H7N3O2S2/c12-8(11-7-10-2-4-15-7)13-5-6-9-1-3-14-6/h1-4H,5H2,(H,10,11,12)
InChIKeyLFXLDESLXXOHEL-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.35
Rot. Bonds3

About 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate

1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 143406687) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID143406687
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC Name1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)OCc1nccs1
InChIInChI=1S/C8H7N3O2S2/c12-8(11-7-10-2-4-15-7)13-5-6-9-1-3-14-6/h1-4H,5H2,(H,10,11,12)
InChIKeyLFXLDESLXXOHEL-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

molecular hydrogen;1,3-thiazol-2-ylmethyl carbamate
CID 143737487
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
1,3-thiazol-2-ylmethyl 2,2-dimethylpropanoate
CID 68640764
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
(5-aminothiophen-3-yl) N-(1,3-thiazol-2-yl)carbamate
CID 121248864
ethyl (E)-4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 2106440
ethyl 4-oxo-4-(1,3-thiazol-2-ylamino)but-2-enoate
CID 3119914
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate (CID 143406687) is 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate is O=C(Nc1nccs1)OCc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is LFXLDESLXXOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c12-8(11-7-10-2-4-15-7)13-5-6-9-1-3-14-6/h1-4H,5H2,(H,10,11,12).
What are the key properties of 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate?
1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 241.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 143406687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).