9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate

C20H17N3O2S — CID 146022304

IUPAC9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESO=C(Nc1nnc(C2CC2)s1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17N3O2S/c24-20(21-19-23-22-18(26-19)12-9-10-12)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,23,24)
InChIKeyXWMMQHUKIMCNJR-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.78
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 146022304) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
PubChem CID146022304
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESO=C(Nc1nnc(C2CC2)s1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H17N3O2S/c24-20(21-19-23-22-18(26-19)12-9-10-12)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,23,24)
InChIKeyXWMMQHUKIMCNJR-UHFFFAOYSA-N
XLogP4.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(3-chloro-2,3,7,7a-tetrahydro-1H-inden-5-yl)carbamate
CID 141380691
benzyl 4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 146022284
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 42940881
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 71943713
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-iodo-1,2-thiazole-3-carboxylic acid
CID 166000513
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
cis-(1S,3R)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178192441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
CID 6163871
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate (CID 146022304) is 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate is O=C(Nc1nnc(C2CC2)s1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is XWMMQHUKIMCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-20(21-19-23-22-18(26-19)12-9-10-12)25-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 363.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 146022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).