4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C18H18N6OS — CID 89424116

IUPAC4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H18N6OS/c25-18(22-17-21-15(13-26-17)14-4-7-19-8-5-14)24-11-9-23(10-12-24)16-3-1-2-6-20-16/h1-8,13H,9-12H2,(H,21,22,25)
InChIKeyPYUHUHFEYDACGR-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.95
Rot. Bonds3

About 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 89424116) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID89424116
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H18N6OS/c25-18(22-17-21-15(13-26-17)14-4-7-19-8-5-14)24-11-9-23(10-12-24)16-3-1-2-6-20-16/h1-8,13H,9-12H2,(H,21,22,25)
InChIKeyPYUHUHFEYDACGR-UHFFFAOYSA-N
XLogP2.95
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 59486313
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
methane;1-[6-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 159301602
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53369623
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-(1,2,5-thiadiazol-3-yl)piperazine-1-carboxamide
CID 4236681
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 89424116) is 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is PYUHUHFEYDACGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-18(22-17-21-15(13-26-17)14-4-7-19-8-5-14)24-11-9-23(10-12-24)16-3-1-2-6-20-16/h1-8,13H,9-12H2,(H,21,22,25).
What are the key properties of 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 89424116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).