ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C15H11ClN4O4S2 — CID 121464885

IUPACethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnc(Cl)cc2s1
InChIInChI=1S/C15H11ClN4O4S2/c1-2-24-15(23)20-11(21)7-3-4-25-13(7)19-12(22)14-18-8-6-17-10(16)5-9(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDJZFOUTVTZHNOD-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.54
Rot. Bonds4

About ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121464885) has the molecular formula C15H11ClN4O4S2 and a molecular weight of 410.86 g/mol. Its IUPAC name is ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID121464885
Molecular FormulaC15H11ClN4O4S2
Molecular Weight410.86 g/mol
Exact Mass409.99
IUPAC Nameethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnc(Cl)cc2s1
InChIInChI=1S/C15H11ClN4O4S2/c1-2-24-15(23)20-11(21)7-3-4-25-13(7)19-12(22)14-18-8-6-17-10(16)5-9(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyDJZFOUTVTZHNOD-UHFFFAOYSA-N
XLogP3.54
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-[(5-chloro-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581527
ethyl N-[2-[(6-methyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121465032
ethyl N-[2-[[4-(dimethylamino)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464893
ethyl N-[2-[(6-chloro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464946
2-[ethyl(methyl)amino]ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121467082
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[5-fluoro-2-([1,3]thiazolo[5,4-b]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464930
N-[3-(ethylcarbamoylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 86582594
ethyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86582126
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]sulfamate
CID 86582593

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121464885) is ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1nc2cnc(Cl)cc2s1.
What is the InChIKey of ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is DJZFOUTVTZHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O4S2/c1-2-24-15(23)20-11(21)7-3-4-25-13(7)19-12(22)14-18-8-6-17-10(16)5-9(8)26-14/h3-6H,2H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 410.86 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(6-chloro-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).