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

C17H29N3OS — CID 72867942

IUPACN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCCN1CCCCC1
InChIInChI=1S/C17H29N3OS/c1-13(2)17-19-14(3)15(22-17)12-18-16(21)8-7-11-20-9-5-4-6-10-20/h13H,4-12H2,1-3H3,(H,18,21)
InChIKeyABNWTEJYYGUSFC-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.46
Rot. Bonds7

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

N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72867942) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
PubChem CID72867942
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCc1nc(C(C)C)sc1CNC(=O)CCCN1CCCCC1
InChIInChI=1S/C17H29N3OS/c1-13(2)17-19-14(3)15(22-17)12-18-16(21)8-7-11-20-9-5-4-6-10-20/h13H,4-12H2,1-3H3,(H,18,21)
InChIKeyABNWTEJYYGUSFC-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide (CID 72867942) is N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide is Cc1nc(C(C)C)sc1CNC(=O)CCCN1CCCCC1.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is ABNWTEJYYGUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-13(2)17-19-14(3)15(22-17)12-18-16(21)8-7-11-20-9-5-4-6-10-20/h13H,4-12H2,1-3H3,(H,18,21).
What are the key properties of N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 323.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72867942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).