N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H32N4OS — CID 74235579

IUPACN-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-14-18(15(2)22(3)21-14)4-5-19(24)20-16-6-10-23(11-7-16)17-8-12-25-13-9-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyGADLYQHUXFPVJI-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 74235579) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID74235579
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC NameN-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-14-18(15(2)22(3)21-14)4-5-19(24)20-16-6-10-23(11-7-16)17-8-12-25-13-9-17/h16-17H,4-13H2,1-3H3,(H,20,24)
InChIKeyGADLYQHUXFPVJI-UHFFFAOYSA-N
XLogP2.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 74235579) is N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC1CCN(C2CCSCC2)CC1.
What is the InChIKey of N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is GADLYQHUXFPVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-14-18(15(2)22(3)21-14)4-5-19(24)20-16-6-10-23(11-7-16)17-8-12-25-13-9-17/h16-17H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 364.56 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thian-4-yl)piperidin-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 74235579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).