N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide

C15H26N4OS — CID 119677065

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CC(C)C2CCNCC2)s1
InChIInChI=1S/C15H26N4OS/c1-10(2)8-14-18-19-15(21-14)17-13(20)9-11(3)12-4-6-16-7-5-12/h10-12,16H,4-9H2,1-3H3,(H,17,19,20)
InChIKeyFZVNYGRYQCFEON-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.70
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119677065) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
PubChem CID119677065
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CC(C)C2CCNCC2)s1
InChIInChI=1S/C15H26N4OS/c1-10(2)8-14-18-19-15(21-14)17-13(20)9-11(3)12-4-6-16-7-5-12/h10-12,16H,4-9H2,1-3H3,(H,17,19,20)
InChIKeyFZVNYGRYQCFEON-UHFFFAOYSA-N
XLogP2.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745133
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745181
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119794468
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119777366
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide (CID 119677065) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide is CC(C)Cc1nnc(NC(=O)CC(C)C2CCNCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is FZVNYGRYQCFEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)8-14-18-19-15(21-14)17-13(20)9-11(3)12-4-6-16-7-5-12/h10-12,16H,4-9H2,1-3H3,(H,17,19,20).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 310.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119677065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).