N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C17H25N5O2S — CID 49448972

IUPACN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1
InChIInChI=1S/C17H25N5O2S/c1-12-15(25-11-19-12)16(24)20-13-5-7-22(8-6-13)9-14(23)21(4)17(2,3)10-18/h11,13H,5-9H2,1-4H3,(H,20,24)
InChIKeyWERSZGUHOKZHDL-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.41
Rot. Bonds5

About N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49448972) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49448972
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1
InChIInChI=1S/C17H25N5O2S/c1-12-15(25-11-19-12)16(24)20-13-5-7-22(8-6-13)9-14(23)21(4)17(2,3)10-18/h11,13H,5-9H2,1-4H3,(H,20,24)
InChIKeyWERSZGUHOKZHDL-UHFFFAOYSA-N
XLogP1.41
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49448972) is N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CC(=O)N(C)C(C)(C)C#N)CC1.
What is the InChIKey of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WERSZGUHOKZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-15(25-11-19-12)16(24)20-13-5-7-22(8-6-13)9-14(23)21(4)17(2,3)10-18/h11,13H,5-9H2,1-4H3,(H,20,24).
What are the key properties of N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49448972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).