N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide

C17H23N5OS — CID 121498555

IUPACN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)N2CCN(c3cccnc3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-13(2)16-20-14(12-24-16)10-19-17(23)22-8-6-21(7-9-22)15-4-3-5-18-11-15/h3-5,11-13H,6-10H2,1-2H3,(H,19,23)
InChIKeyDCAIBPFUNITSAI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.69
Rot. Bonds4

About N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 121498555) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID121498555
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
SMILESCC(C)c1nc(CNC(=O)N2CCN(c3cccnc3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-13(2)16-20-14(12-24-16)10-19-17(23)22-8-6-21(7-9-22)15-4-3-5-18-11-15/h3-5,11-13H,6-10H2,1-2H3,(H,19,23)
InChIKeyDCAIBPFUNITSAI-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
N-[(2S)-5-(diethylamino)pentan-2-yl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 126437488
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
4-[4-(4-methylpiperidin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108615
4-(3-bromo-4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108593
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 70777331

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide (CID 121498555) is N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide is CC(C)c1nc(CNC(=O)N2CCN(c3cccnc3)CC2)cs1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is DCAIBPFUNITSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(2)16-20-14(12-24-16)10-19-17(23)22-8-6-21(7-9-22)15-4-3-5-18-11-15/h3-5,11-13H,6-10H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide?
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 121498555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).