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

C22H17ClFN5O3S — CID 155342334

IUPACN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1
InChIInChI=1S/C22H17ClFN5O3S/c1-12-8-15(19-17(24)4-3-5-18(19)31-2)16(10-25-12)20(30)27-21-28-29-22(33-21)32-11-14-7-6-13(23)9-26-14/h3-10H,11H2,1-2H3,(H,27,28,30)
InChIKeyQSLHRXULZFQUHQ-UHFFFAOYSA-N
MW485.93 g/mol
LogP4.94
Rot. Bonds7

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

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 155342334) has the molecular formula C22H17ClFN5O3S and a molecular weight of 485.93 g/mol. Its IUPAC name is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID155342334
Molecular FormulaC22H17ClFN5O3S
Molecular Weight485.93 g/mol
Exact Mass485.07
IUPAC NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1
InChIInChI=1S/C22H17ClFN5O3S/c1-12-8-15(19-17(24)4-3-5-18(19)31-2)16(10-25-12)20(30)27-21-28-29-22(33-21)32-11-14-7-6-13(23)9-26-14/h3-10H,11H2,1-2H3,(H,27,28,30)
InChIKeyQSLHRXULZFQUHQ-UHFFFAOYSA-N
XLogP4.94
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.93
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 155342334) is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(Cl)cn2)s1.
What is the InChIKey of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is QSLHRXULZFQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O3S/c1-12-8-15(19-17(24)4-3-5-18(19)31-2)16(10-25-12)20(30)27-21-28-29-22(33-21)32-11-14-7-6-13(23)9-26-14/h3-10H,11H2,1-2H3,(H,27,28,30).
What are the key properties of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 485.93 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 155342334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).