benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate

C16H18N4O3S — CID 42940881

IUPACbenzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H18N4O3S/c1-10(17-16(22)23-9-11-5-3-2-4-6-11)13(21)18-15-20-19-14(24-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyBQQBMKJUIWLDHP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.67
Rot. Bonds6

About benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 42940881) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID42940881
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Namebenzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H18N4O3S/c1-10(17-16(22)23-9-11-5-3-2-4-6-11)13(21)18-15-20-19-14(24-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,17,22)(H,18,20,21)
InChIKeyBQQBMKJUIWLDHP-UHFFFAOYSA-N
XLogP2.67
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[1-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 19098297
benzyl 4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 146022284
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(2S)-1-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 18278826
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493
benzyl N-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 23822673
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 42940881) is benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is BQQBMKJUIWLDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10(17-16(22)23-9-11-5-3-2-4-6-11)13(21)18-15-20-19-14(24-15)12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H,17,22)(H,18,20,21).
What are the key properties of benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 42940881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).