1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C19H25N5O3S2 — CID 11154799

IUPAC1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(CC(=O)Nc3ncc(C(C)C)s3)cs2)CC1
InChIInChI=1S/C19H25N5O3S2/c1-11(2)15-9-20-18(29-15)22-16(26)8-14-10-28-19(21-14)23-17(27)13-4-6-24(7-5-13)12(3)25/h9-11,13H,4-8H2,1-3H3,(H,20,22,26)(H,21,23,27)
InChIKeyJUDSXZMOCRCDQM-UHFFFAOYSA-N
MW435.58 g/mol
LogP3.10
Rot. Bonds6

About 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 11154799) has the molecular formula C19H25N5O3S2 and a molecular weight of 435.58 g/mol. Its IUPAC name is 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID11154799
Molecular FormulaC19H25N5O3S2
Molecular Weight435.58 g/mol
Exact Mass435.14
IUPAC Name1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nc(CC(=O)Nc3ncc(C(C)C)s3)cs2)CC1
InChIInChI=1S/C19H25N5O3S2/c1-11(2)15-9-20-18(29-15)22-16(26)8-14-10-28-19(21-14)23-17(27)13-4-6-24(7-5-13)12(3)25/h9-11,13H,4-8H2,1-3H3,(H,20,22,26)(H,21,23,27)
InChIKeyJUDSXZMOCRCDQM-UHFFFAOYSA-N
XLogP3.10
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 11154799) is 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nc(CC(=O)Nc3ncc(C(C)C)s3)cs2)CC1.
What is the InChIKey of 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JUDSXZMOCRCDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S2/c1-11(2)15-9-20-18(29-15)22-16(26)8-14-10-28-19(21-14)23-17(27)13-4-6-24(7-5-13)12(3)25/h9-11,13H,4-8H2,1-3H3,(H,20,22,26)(H,21,23,27).
What are the key properties of 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 435.58 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 11154799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).