N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide

C17H29N3OS — CID 119890073

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCc1nc(C(C)(C)NC(=O)CC(C)C2CCCNC2)sc1C
InChIInChI=1S/C17H29N3OS/c1-11(14-7-6-8-18-10-14)9-15(21)20-17(4,5)16-19-12(2)13(3)22-16/h11,14,18H,6-10H2,1-5H3,(H,20,21)
InChIKeyUZFVHCQBDORGSA-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119890073) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID119890073
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide
SMILESCc1nc(C(C)(C)NC(=O)CC(C)C2CCCNC2)sc1C
InChIInChI=1S/C17H29N3OS/c1-11(14-7-6-8-18-10-14)9-15(21)20-17(4,5)16-19-12(2)13(3)22-16/h11,14,18H,6-10H2,1-5H3,(H,20,21)
InChIKeyUZFVHCQBDORGSA-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide (CID 119890073) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide is Cc1nc(C(C)(C)NC(=O)CC(C)C2CCCNC2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is UZFVHCQBDORGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-11(14-7-6-8-18-10-14)9-15(21)20-17(4,5)16-19-12(2)13(3)22-16/h11,14,18H,6-10H2,1-5H3,(H,20,21).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 323.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119890073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).