N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H31N3OS — CID 72884411

IUPACN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C18H31N3OS/c1-5-6-18-20-14(4)16(23-18)12-19-17(22)11-15-7-9-21(10-8-15)13(2)3/h13,15H,5-12H2,1-4H3,(H,19,22)
InChIKeyFURDGHHLGGHFNK-UHFFFAOYSA-N
MW337.53 g/mol
LogP3.53
Rot. Bonds7

About N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72884411) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72884411
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC NameN-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCCc1nc(C)c(CNC(=O)CC2CCN(C(C)C)CC2)s1
InChIInChI=1S/C18H31N3OS/c1-5-6-18-20-14(4)16(23-18)12-19-17(22)11-15-7-9-21(10-8-15)13(2)3/h13,15H,5-12H2,1-4H3,(H,19,22)
InChIKeyFURDGHHLGGHFNK-UHFFFAOYSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 53.53
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-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72884411) is N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CCCc1nc(C)c(CNC(=O)CC2CCN(C(C)C)CC2)s1.
What is the InChIKey of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is FURDGHHLGGHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c1-5-6-18-20-14(4)16(23-18)12-19-17(22)11-15-7-9-21(10-8-15)13(2)3/h13,15H,5-12H2,1-4H3,(H,19,22).
What are the key properties of N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 337.53 g/mol, XLogP of 3.53, 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-propyl-1,3-thiazol-5-yl)methyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72884411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).