benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate

C16H19N3O5S — CID 171855914

IUPACbenzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate
SMILESNNC(=O)c1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)s1
InChIInChI=1S/C16H19N3O5S/c17-19-15(22)13-7-6-12(25-13)14(21)11(20)8-18-16(23)24-9-10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9,17H2,(H,18,23)(H,19,22)
InChIKeyNUAMJKGXXYIKNC-UHFFFAOYSA-N
MW365.41 g/mol
LogP0.67
Rot. Bonds7

About benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate

benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate (PubChem CID 171855914) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate
PubChem CID171855914
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Namebenzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate
SMILESNNC(=O)c1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)s1
InChIInChI=1S/C16H19N3O5S/c17-19-15(22)13-7-6-12(25-13)14(21)11(20)8-18-16(23)24-9-10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9,17H2,(H,18,23)(H,19,22)
InChIKeyNUAMJKGXXYIKNC-UHFFFAOYSA-N
XLogP0.67
TPSA133.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]thiophene-2-carboxylate
CID 171856200
benzyl N-[2,3-dihydroxy-3-(5-methylthiophen-2-yl)propyl]carbamate
CID 171855314
benzyl N-[3-(5-ethylthiophen-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857273
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
benzyl N-[3-(4-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856238
benzyl N-[3-(3-bromothiophen-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857279
benzyl N-[3-(4-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855537
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate (CID 171855914) is benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate is NNC(=O)c1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)s1.
What is the InChIKey of benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is NUAMJKGXXYIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c17-19-15(22)13-7-6-12(25-13)14(21)11(20)8-18-16(23)24-9-10-4-2-1-3-5-10/h1-7,11,14,20-21H,8-9,17H2,(H,18,23)(H,19,22).
What are the key properties of benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 365.41 g/mol, XLogP of 0.67, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[5-(hydrazinecarbonyl)thiophen-2-yl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).