[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate

C12H13N3O2S — CID 69172795

IUPAC[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccc(-c2csnn2)c1
InChIInChI=1S/C12H13N3O2S/c1-8(2)13-12(16)17-10-5-3-4-9(6-10)11-7-18-15-14-11/h3-8H,1-2H3,(H,13,16)
InChIKeyLNCNYNAMSGUBPC-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.70
Rot. Bonds3

About [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate

[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate (PubChem CID 69172795) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate
PubChem CID69172795
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cccc(-c2csnn2)c1
InChIInChI=1S/C12H13N3O2S/c1-8(2)13-12(16)17-10-5-3-4-9(6-10)11-7-18-15-14-11/h3-8H,1-2H3,(H,13,16)
InChIKeyLNCNYNAMSGUBPC-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-phenylphenyl) N-propan-2-ylcarbamate
CID 11673293
(3-propan-2-ylphenyl) N-propan-2-ylcarbamate
CID 127551398
(3,5-diphenylphenyl) N-propan-2-ylcarbamate
CID 44572190
4-(3-methylphenyl)thiadiazole
CID 59767702
2-(3-chlorophenoxy)-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984940
N-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]thiadiazole-4-carboxamide
CID 75394492
(3,5-dimethylphenyl) N-propan-2-ylcarbamate
CID 54452790
(3-methyl-4-methylsulfanylphenyl) N-propan-2-ylcarbamate
CID 117060576
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
2-methyl-5-(thiadiazol-4-yl)benzoic acid
CID 174257420
(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349

Frequently Asked Questions

What is the IUPAC name of [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate?
The IUPAC name of [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate (CID 69172795) is [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate?
The canonical SMILES for [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cccc(-c2csnn2)c1.
What is the InChIKey of [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate?
The InChIKey is LNCNYNAMSGUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(2)13-12(16)17-10-5-3-4-9(6-10)11-7-18-15-14-11/h3-8H,1-2H3,(H,13,16).
What are the key properties of [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate?
[3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate has a molecular weight of 263.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiadiazol-4-yl)phenyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 69172795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).