4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide

C17H28N4O2S — CID 71841870

IUPAC4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1
InChIInChI=1S/C17H28N4O2S/c1-4-12(2)19-17(23)21-9-6-14(7-10-21)16-20-15(11-24-16)5-8-18-13(3)22/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHISYWLDZQKQEFC-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.51
Rot. Bonds6

About 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide

4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide (PubChem CID 71841870) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide
PubChem CID71841870
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1
InChIInChI=1S/C17H28N4O2S/c1-4-12(2)19-17(23)21-9-6-14(7-10-21)16-20-15(11-24-16)5-8-18-13(3)22/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyHISYWLDZQKQEFC-UHFFFAOYSA-N
XLogP2.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide (CID 71841870) is 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide is CCC(C)NC(=O)N1CCC(c2nc(CCNC(C)=O)cs2)CC1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide?
The InChIKey is HISYWLDZQKQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-4-12(2)19-17(23)21-9-6-14(7-10-21)16-20-15(11-24-16)5-8-18-13(3)22/h11-12,14H,4-10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide?
4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)-1,3-thiazol-2-yl]-N-butan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71841870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).