3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

C22H24N4O2S — CID 36757414

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)NCc3ccnc(N4CCCC4)c3)c2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16-25-19(15-29-16)14-28-20-6-4-5-18(12-20)22(27)24-13-17-7-8-23-21(11-17)26-9-2-3-10-26/h4-8,11-12,15H,2-3,9-10,13-14H2,1H3,(H,24,27)
InChIKeyPXLSCBVBOFCYAH-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.96
Rot. Bonds7

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 36757414) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID36757414
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESCc1nc(COc2cccc(C(=O)NCc3ccnc(N4CCCC4)c3)c2)cs1
InChIInChI=1S/C22H24N4O2S/c1-16-25-19(15-29-16)14-28-20-6-4-5-18(12-20)22(27)24-13-17-7-8-23-21(11-17)26-9-2-3-10-26/h4-8,11-12,15H,2-3,9-10,13-14H2,1H3,(H,24,27)
InChIKeyPXLSCBVBOFCYAH-UHFFFAOYSA-N
XLogP3.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 87005232
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 51266645
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486
2-[2-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242448
N-(1-acetylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46657248
3-(methylsulfamoyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 37312302
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568928
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11328540

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (CID 36757414) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is Cc1nc(COc2cccc(C(=O)NCc3ccnc(N4CCCC4)c3)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is PXLSCBVBOFCYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-25-19(15-29-16)14-28-20-6-4-5-18(12-20)22(27)24-13-17-7-8-23-21(11-17)26-9-2-3-10-26/h4-8,11-12,15H,2-3,9-10,13-14H2,1H3,(H,24,27).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 408.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 36757414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).