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

C19H25N3OS — CID 119711409

IUPACN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1-c1csc(NC(=O)CC(C)C2CCNCC2)n1
InChIInChI=1S/C19H25N3OS/c1-13-5-3-4-6-16(13)17-12-24-19(21-17)22-18(23)11-14(2)15-7-9-20-10-8-15/h3-6,12,14-15,20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyOOUQJPHWEOBLSG-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.08
Rot. Bonds5

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

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119711409) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
PubChem CID119711409
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1-c1csc(NC(=O)CC(C)C2CCNCC2)n1
InChIInChI=1S/C19H25N3OS/c1-13-5-3-4-6-16(13)17-12-24-19(21-17)22-18(23)11-14(2)15-7-9-20-10-8-15/h3-6,12,14-15,20H,7-11H2,1-2H3,(H,21,22,23)
InChIKeyOOUQJPHWEOBLSG-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide (CID 119711409) is N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide is Cc1ccccc1-c1csc(NC(=O)CC(C)C2CCNCC2)n1.
What is the InChIKey of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is OOUQJPHWEOBLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-5-3-4-6-16(13)17-12-24-19(21-17)22-18(23)11-14(2)15-7-9-20-10-8-15/h3-6,12,14-15,20H,7-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide?
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 343.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119711409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).