2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C20H27N3O2S2 — CID 71841751

IUPAC2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)s1
InChIInChI=1S/C20H27N3O2S2/c1-13(2)18(24)21-9-8-16-12-26-19(22-16)15-5-4-10-23(11-15)20(25)17-7-6-14(3)27-17/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyKAPNQQFUCBYOEQ-UHFFFAOYSA-N
MW405.59 g/mol
LogP3.85
Rot. Bonds6

About 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841751) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841751
Molecular FormulaC20H27N3O2S2
Molecular Weight405.59 g/mol
Exact Mass405.15
IUPAC Name2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)s1
InChIInChI=1S/C20H27N3O2S2/c1-13(2)18(24)21-9-8-16-12-26-19(22-16)15-5-4-10-23(11-15)20(25)17-7-6-14(3)27-17/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24)
InChIKeyKAPNQQFUCBYOEQ-UHFFFAOYSA-N
XLogP3.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841751) is 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is Cc1ccc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)s1.
What is the InChIKey of 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is KAPNQQFUCBYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-13(2)18(24)21-9-8-16-12-26-19(22-16)15-5-4-10-23(11-15)20(25)17-7-6-14(3)27-17/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 405.59 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).