N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

C19H25N3OS — CID 24817466

IUPACN-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C19H25N3OS/c1-15-3-2-4-17(13-15)21-18(23)6-5-16-7-10-22(11-8-16)14-19-20-9-12-24-19/h2-4,9,12-13,16H,5-8,10-11,14H2,1H3,(H,21,23)
InChIKeyYNSANNCBLXYNHW-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.08
Rot. Bonds6

About N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 24817466) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
PubChem CID24817466
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(Cc3nccs3)CC2)c1
InChIInChI=1S/C19H25N3OS/c1-15-3-2-4-17(13-15)21-18(23)6-5-16-7-10-22(11-8-16)14-19-20-9-12-24-19/h2-4,9,12-13,16H,5-8,10-11,14H2,1H3,(H,21,23)
InChIKeyYNSANNCBLXYNHW-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-(thiazol-2-yl)phenyl)benzamide
CID 46887333
2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
1-(2-pyridinylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]-4-piperidinecarboxamide
CID 24791083
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
N-(4-isopropylphenyl)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3-piperidinamine
CID 24790887
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]nipecotamide
CID 24820094
(2S)-8-oxo-N-(3-phenylphenyl)-2-(1,3-thiazol-5-ylamino)nonanamide
CID 44456968
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 118727639
1-[(3,4-difluorophenyl)methyl]-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 162651491
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
1-Benzyl-1-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696302

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide (CID 24817466) is N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is Cc1cccc(NC(=O)CCC2CCN(Cc3nccs3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is YNSANNCBLXYNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15-3-2-4-17(13-15)21-18(23)6-5-16-7-10-22(11-8-16)14-19-20-9-12-24-19/h2-4,9,12-13,16H,5-8,10-11,14H2,1H3,(H,21,23).
What are the key properties of N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide?
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 343.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24817466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).