N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide

C17H23N5OS — CID 97308542

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-13-11-19-16(24-13)12-20-17(23)22-9-7-21(8-10-22)14(2)15-5-3-4-6-18-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDJSGVDUYQLUZLH-AWEZNQCLSA-N
MW345.47 g/mol
LogP2.43
Rot. Bonds4

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide (PubChem CID 97308542) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
PubChem CID97308542
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cnc(CNC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-13-11-19-16(24-13)12-20-17(23)22-9-7-21(8-10-22)14(2)15-5-3-4-6-18-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyDJSGVDUYQLUZLH-AWEZNQCLSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 84600185
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
4-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
CID 124829259
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide (CID 97308542) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide is Cc1cnc(CNC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
The InChIKey is DJSGVDUYQLUZLH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-11-19-16(24-13)12-20-17(23)22-9-7-21(8-10-22)14(2)15-5-3-4-6-18-15/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 97308542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).