2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C14H15FN6S — CID 21132155

IUPAC2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2nccc(CN3CCNCC3)c2F)s1
InChIInChI=1S/C14H15FN6S/c15-12-10(9-21-5-3-17-4-6-21)1-2-18-13(12)20-14-19-8-11(7-16)22-14/h1-2,8,17H,3-6,9H2,(H,18,19,20)
InChIKeyPMEFCTFYCOORNV-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.70
Rot. Bonds4

About 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 21132155) has the molecular formula C14H15FN6S and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID21132155
Molecular FormulaC14H15FN6S
Molecular Weight318.38 g/mol
Exact Mass318.11
IUPAC Name2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2nccc(CN3CCNCC3)c2F)s1
InChIInChI=1S/C14H15FN6S/c15-12-10(9-21-5-3-17-4-6-21)1-2-18-13(12)20-14-19-8-11(7-16)22-14/h1-2,8,17H,3-6,9H2,(H,18,19,20)
InChIKeyPMEFCTFYCOORNV-UHFFFAOYSA-N
XLogP1.70
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 21132139
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506929
3-(2-piperazin-1-ylethylamino)pyrazine-2-carbonitrile
CID 62671831
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
2-[3-[(4-acetylpiperazin-1-yl)methyl]-5-methylanilino]-1,3-thiazole-5-carbonitrile
CID 11508686
N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 90603616
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
3-fluoro-N-(1H-imidazol-2-yl)-4-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 177246177
4-[bis[2-(dimethylamino)ethyl]amino]-2-(piperazin-1-ylmethyl)benzonitrile
CID 151755909
2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335054
1-[(2-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride
CID 47000648
2-[[6-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 21059965

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 21132155) is 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2nccc(CN3CCNCC3)c2F)s1.
What is the InChIKey of 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is PMEFCTFYCOORNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6S/c15-12-10(9-21-5-3-17-4-6-21)1-2-18-13(12)20-14-19-8-11(7-16)22-14/h1-2,8,17H,3-6,9H2,(H,18,19,20).
What are the key properties of 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(piperazin-1-ylmethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 21132155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).