4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

C15H11Cl2N5O2S — CID 163391275

IUPAC4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)cn1
InChIInChI=1S/C15H11Cl2N5O2S/c1-8-4-12(17)11(6-18-8)13(23)20-14-21-22-15(25-14)24-7-10-3-2-9(16)5-19-10/h2-6H,7H2,1H3,(H,20,21,23)
InChIKeyQRJADTPGGHURBF-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide

4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 163391275) has the molecular formula C15H11Cl2N5O2S and a molecular weight of 396.26 g/mol. Its IUPAC name is 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID163391275
Molecular FormulaC15H11Cl2N5O2S
Molecular Weight396.26 g/mol
Exact Mass395.00
IUPAC Name4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)cn1
InChIInChI=1S/C15H11Cl2N5O2S/c1-8-4-12(17)11(6-18-8)13(23)20-14-21-22-15(25-14)24-7-10-3-2-9(16)5-19-10/h2-6H,7H2,1H3,(H,20,21,23)
InChIKeyQRJADTPGGHURBF-UHFFFAOYSA-N
XLogP3.77
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxamide
CID 155342604
N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methyl-4-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 170550678
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(4-methylsulfinylpiperazin-1-yl)pyridine-3-carboxamide
CID 155353901
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
4-(5-chloro-2-methoxyphenyl)-6-methyl-N-[5-[[4-(methylsulfonimidoyl)phenyl]methoxy]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 170550583
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-[2-(difluoromethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 155353814
4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 170550676
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
N-[5-[[5-(1-cyanocyclopropyl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 155342518
4-[2-(difluoromethoxy)phenyl]-N-[5-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391000

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 163391275) is 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)cn1.
What is the InChIKey of 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is QRJADTPGGHURBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O2S/c1-8-4-12(17)11(6-18-8)13(23)20-14-21-22-15(25-14)24-7-10-3-2-9(16)5-19-10/h2-6H,7H2,1H3,(H,20,21,23).
What are the key properties of 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide?
4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 396.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 163391275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).