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

C21H23N3OS — CID 86954423

IUPACN-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2ccc(C(=O)NC(c3ncccc3C)C(C)C)cc2)n1
InChIInChI=1S/C21H23N3OS/c1-13(2)18(19-14(3)6-5-11-22-19)24-20(25)16-7-9-17(10-8-16)21-23-15(4)12-26-21/h5-13,18H,1-4H3,(H,24,25)
InChIKeyVLMPSTULWBRWMM-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.95
Rot. Bonds5

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

N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 86954423) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID86954423
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(-c2ccc(C(=O)NC(c3ncccc3C)C(C)C)cc2)n1
InChIInChI=1S/C21H23N3OS/c1-13(2)18(19-14(3)6-5-11-22-19)24-20(25)16-7-9-17(10-8-16)21-23-15(4)12-26-21/h5-13,18H,1-4H3,(H,24,25)
InChIKeyVLMPSTULWBRWMM-UHFFFAOYSA-N
XLogP4.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
CID 120646793
N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfonylbenzamide
CID 96550294
N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 96550308
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
1-(1-adamantyl)-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 99808511
3-methyl-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 119170390
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
3-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butanehydrazide
CID 63570310
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414440

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 86954423) is N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(-c2ccc(C(=O)NC(c3ncccc3C)C(C)C)cc2)n1.
What is the InChIKey of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VLMPSTULWBRWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-13(2)18(19-14(3)6-5-11-22-19)24-20(25)16-7-9-17(10-8-16)21-23-15(4)12-26-21/h5-13,18H,1-4H3,(H,24,25).
What are the key properties of N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide?
N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 365.50 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86954423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).