N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

C19H16ClN3OS2 — CID 20951532

IUPACN-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)12-22-18(24)16-7-8-17(26-16)23-10-11-25-19-15(23)2-1-9-21-19/h1-9H,10-12H2,(H,22,24)
InChIKeyIUUVRABPDGRHMC-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.97
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (PubChem CID 20951532) has the molecular formula C19H16ClN3OS2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
PubChem CID20951532
Molecular FormulaC19H16ClN3OS2
Molecular Weight401.94 g/mol
Exact Mass401.04
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)12-22-18(24)16-7-8-17(26-16)23-10-11-25-19-15(23)2-1-9-21-19/h1-9H,10-12H2,(H,22,24)
InChIKeyIUUVRABPDGRHMC-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951584
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 20951569
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 20947701
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947616
N-[(4-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 110851460
N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48571043
N-[(4-chlorophenyl)methyl]-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107984
N-(furan-2-ylmethyl)-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277487
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353252
N-(1-benzylpiperidin-4-yl)-5-(2,3-dihydro-1,4-benzothiazin-4-yl)thiophene-2-carboxamide
CID 20944317

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (CID 20951532) is N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCSc3ncccc32)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The InChIKey is IUUVRABPDGRHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS2/c20-14-5-3-13(4-6-14)12-22-18(24)16-7-8-17(26-16)23-10-11-25-19-15(23)2-1-9-21-19/h1-9H,10-12H2,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20951532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).