2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C18H25N5O2S2 — CID 11338756

IUPAC2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CN3CCCCC3)n2)s1
InChIInChI=1S/C18H25N5O2S2/c1-12(2)14-9-19-17(27-14)21-15(24)8-13-11-26-18(20-13)22-16(25)10-23-6-4-3-5-7-23/h9,11-12H,3-8,10H2,1-2H3,(H,19,21,24)(H,20,22,25)
InChIKeyPCYMSOJXQWCTMI-UHFFFAOYSA-N
MW407.57 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 11338756) has the molecular formula C18H25N5O2S2 and a molecular weight of 407.57 g/mol. Its IUPAC name is 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID11338756
Molecular FormulaC18H25N5O2S2
Molecular Weight407.57 g/mol
Exact Mass407.14
IUPAC Name2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CN3CCCCC3)n2)s1
InChIInChI=1S/C18H25N5O2S2/c1-12(2)14-9-19-17(27-14)21-15(24)8-13-11-26-18(20-13)22-16(25)10-23-6-4-3-5-7-23/h9,11-12H,3-8,10H2,1-2H3,(H,19,21,24)(H,20,22,25)
InChIKeyPCYMSOJXQWCTMI-UHFFFAOYSA-N
XLogP3.33
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 11338756) is 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)CN3CCCCC3)n2)s1.
What is the InChIKey of 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PCYMSOJXQWCTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S2/c1-12(2)14-9-19-17(27-14)21-15(24)8-13-11-26-18(20-13)22-16(25)10-23-6-4-3-5-7-23/h9,11-12H,3-8,10H2,1-2H3,(H,19,21,24)(H,20,22,25).
What are the key properties of 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 407.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11338756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).