benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate

C18H19N3O4S — CID 171856122

IUPACbenzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate
SMILESNc1nc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2s1
InChIInChI=1S/C18H19N3O4S/c19-17-21-13-7-6-12(8-15(13)26-17)16(23)14(22)9-20-18(24)25-10-11-4-2-1-3-5-11/h1-8,14,16,22-23H,9-10H2,(H2,19,21)(H,20,24)
InChIKeyRFQRWFSYWXTYRN-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.20
Rot. Bonds6

About benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856122) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856122
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namebenzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate
SMILESNc1nc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2s1
InChIInChI=1S/C18H19N3O4S/c19-17-21-13-7-6-12(8-15(13)26-17)16(23)14(22)9-20-18(24)25-10-11-4-2-1-3-5-11/h1-8,14,16,22-23H,9-10H2,(H2,19,21)(H,20,24)
InChIKeyRFQRWFSYWXTYRN-UHFFFAOYSA-N
XLogP2.20
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[4-(2-amino-1,3-benzothiazol-6-yl)-3,4-dihydroxybutyl]carbamate
CID 171888625
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-(2,3-dihydroxy-3-quinolin-3-ylpropyl)carbamate
CID 171856136
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779
benzyl N-[3-(4-chloro-3-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855821
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate (CID 171856122) is benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate is Nc1nc2ccc(C(O)C(O)CNC(=O)OCc3ccccc3)cc2s1.
What is the InChIKey of benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is RFQRWFSYWXTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c19-17-21-13-7-6-12(8-15(13)26-17)16(23)14(22)9-20-18(24)25-10-11-4-2-1-3-5-11/h1-8,14,16,22-23H,9-10H2,(H2,19,21)(H,20,24).
What are the key properties of benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 373.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).