N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H15N3O2S2 — CID 60549609

IUPACN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Sc2nncs2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C18H15N3O2S2/c22-17(13-9-12-3-1-2-4-16(12)23-10-13)20-14-5-7-15(8-6-14)25-18-21-19-11-24-18/h1-8,11,13H,9-10H2,(H,20,22)
InChIKeyQPWJAAIEMCECFU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.88
Rot. Bonds4

About N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 60549609) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID60549609
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Sc2nncs2)cc1)C1COc2ccccc2C1
InChIInChI=1S/C18H15N3O2S2/c22-17(13-9-12-3-1-2-4-16(12)23-10-13)20-14-5-7-15(8-6-14)25-18-21-19-11-24-18/h1-8,11,13H,9-10H2,(H,20,22)
InChIKeyQPWJAAIEMCECFU-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 119757430
cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17491569
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3R)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 25413455
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51949503
(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51981747

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 60549609) is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(Sc2nncs2)cc1)C1COc2ccccc2C1.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QPWJAAIEMCECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-17(13-9-12-3-1-2-4-16(12)23-10-13)20-14-5-7-15(8-6-14)25-18-21-19-11-24-18/h1-8,11,13H,9-10H2,(H,20,22).
What are the key properties of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 60549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).