N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide

C18H15N5OS — CID 53163111

IUPACN-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn2c(CNC(=O)c3cccnc3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C18H15N5OS/c1-12-22-23-15(11-20-17(24)14-8-5-9-19-10-14)16(21-18(23)25-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24)
InChIKeyIYCUYUCEWQUYHD-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.09
Rot. Bonds4

About N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide

N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 53163111) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID53163111
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn2c(CNC(=O)c3cccnc3)c(-c3ccccc3)nc2s1
InChIInChI=1S/C18H15N5OS/c1-12-22-23-15(11-20-17(24)14-8-5-9-19-10-14)16(21-18(23)25-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24)
InChIKeyIYCUYUCEWQUYHD-UHFFFAOYSA-N
XLogP3.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
CID 110873450
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
N-[(2-ethyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-fluorobenzamide
CID 53163379
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 47070949
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163297
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]pyridine-3-carboxamide
CID 84513228
4-methoxy-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163162
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide (CID 53163111) is N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide is Cc1nn2c(CNC(=O)c3cccnc3)c(-c3ccccc3)nc2s1.
What is the InChIKey of N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IYCUYUCEWQUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-22-23-15(11-20-17(24)14-8-5-9-19-10-14)16(21-18(23)25-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide?
N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).