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

C13H18N4OS — CID 49449224

IUPACN-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCC#N)CC1
InChIInChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)13(18)16-11-3-7-17(8-4-11)6-2-5-14/h9,11H,2-4,6-8H2,1H3,(H,16,18)
InChIKeyQCQQYJCKIWPEOK-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.56
Rot. Bonds4

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

N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49449224) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49449224
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCN(CCC#N)CC1
InChIInChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)13(18)16-11-3-7-17(8-4-11)6-2-5-14/h9,11H,2-4,6-8H2,1H3,(H,16,18)
InChIKeyQCQQYJCKIWPEOK-UHFFFAOYSA-N
XLogP1.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49449224) is N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCN(CCC#N)CC1.
What is the InChIKey of N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QCQQYJCKIWPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-12(19-9-15-10)13(18)16-11-3-7-17(8-4-11)6-2-5-14/h9,11H,2-4,6-8H2,1H3,(H,16,18).
What are the key properties of N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49449224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).