N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C19H20N4O2S — CID 3212809

IUPACN-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)15-9-5-6-10-16(15)25-2)19-22-21-17(26-19)14-8-7-11-20-13-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHDAROGUTJUFJDQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.06
Rot. Bonds7

About N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 3212809) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID3212809
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)15-9-5-6-10-16(15)25-2)19-22-21-17(26-19)14-8-7-11-20-13-14/h5-11,13H,3-4,12H2,1-2H3
InChIKeyHDAROGUTJUFJDQ-UHFFFAOYSA-N
XLogP4.06
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 971668
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
N-benzyl-1-(2-methoxybenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 2983598
US9687479, 14 3-(5-[(4-fluorophenyl)methyl]sulfanyl-1-[(2-methoxyphenyl)carbonyl]-1H-1,2,4-triazol-3-yl)pyridine
CID 53492677
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
3-Methoxy-N-(2-methoxy-ethyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650936
N-Ethyl-2,6-dimethoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 655065
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
N-Ethyl-2-(2-methoxy-phenyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1451796
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212762
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212800
(2-Methoxyphenyl)-[2-(pyridin-3-ylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]methanone
CID 3236440

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 3212809) is N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HDAROGUTJUFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)15-9-5-6-10-16(15)25-2)19-22-21-17(26-19)14-8-7-11-20-13-14/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 368.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 3212809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).