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

C20H26N4O2S — CID 119676255

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C3CCCNC3)n2)cc1
InChIInChI=1S/C20H26N4O2S/c1-13(16-4-3-9-21-11-16)10-19(26)24-20-23-18(12-27-20)15-5-7-17(8-6-15)22-14(2)25/h5-8,12-13,16,21H,3-4,9-11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyVJQJDJDARVNOOM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.73
Rot. Bonds6

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119676255) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID119676255
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C3CCCNC3)n2)cc1
InChIInChI=1S/C20H26N4O2S/c1-13(16-4-3-9-21-11-16)10-19(26)24-20-23-18(12-27-20)15-5-7-17(8-6-15)22-14(2)25/h5-8,12-13,16,21H,3-4,9-11H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyVJQJDJDARVNOOM-UHFFFAOYSA-N
XLogP3.73
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119677674
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119696350
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119713316
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[2-[(2-acetamidoacetyl)amino]-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 167788022

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (CID 119676255) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C3CCCNC3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is VJQJDJDARVNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13(16-4-3-9-21-11-16)10-19(26)24-20-23-18(12-27-20)15-5-7-17(8-6-15)22-14(2)25/h5-8,12-13,16,21H,3-4,9-11H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 386.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119676255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).