2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate

C15H17N3O2S — CID 3467248

IUPAC2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nnc(C=Cc2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-11(2)10-20-15(19)16-14-18-17-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18,19)
InChIKeyGVDUZPNYZDTPSG-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.91
Rot. Bonds5

About 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate

2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 3467248) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID3467248
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCC(C)COC(=O)Nc1nnc(C=Cc2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-11(2)10-20-15(19)16-14-18-17-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18,19)
InChIKeyGVDUZPNYZDTPSG-UHFFFAOYSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3770330
2-methylpropyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 811180
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
2-methylpropyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744061
3-methoxy-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3695224
3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
3-methyl-N-[[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]carbamoyl]benzamide
CID 24898477
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
bis(2-methylpropyl) 2-cinnamylidenepropanedioate
CID 3022515
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 3467248) is 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate is CC(C)COC(=O)Nc1nnc(C=Cc2ccccc2)s1.
What is the InChIKey of 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is GVDUZPNYZDTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11(2)10-20-15(19)16-14-18-17-13(21-14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18,19).
What are the key properties of 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate?
2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 303.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 3467248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).