2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane

C17H29N7S2 — CID 142145219

IUPAC2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
SMILESCC.CC.N#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)s1.S
InChIInChI=1S/C13H15N7S.2C2H6.H2S/c14-6-10-7-16-13(21-10)19-11-5-12(18-8-17-11)20-3-1-9(15)2-4-20;2*1-2;/h5,7-9H,1-4,15H2,(H,16,17,18,19);2*1-2H3;1H2
InChIKeyJVVMGYFEMPMGTQ-UHFFFAOYSA-N
MW395.60 g/mol
LogP3.64
Rot. Bonds3

About 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane

2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane (PubChem CID 142145219) has the molecular formula C17H29N7S2 and a molecular weight of 395.60 g/mol. Its IUPAC name is 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane.

Molecular Properties

Compound Name2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
PubChem CID142145219
Molecular FormulaC17H29N7S2
Molecular Weight395.60 g/mol
Exact Mass395.19
IUPAC Name2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane
SMILESCC.CC.N#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)s1.S
InChIInChI=1S/C13H15N7S.2C2H6.H2S/c14-6-10-7-16-13(21-10)19-11-5-12(18-8-17-11)20-3-1-9(15)2-4-20;2*1-2;/h5,7-9H,1-4,15H2,(H,16,17,18,19);2*1-2H3;1H2
InChIKeyJVVMGYFEMPMGTQ-UHFFFAOYSA-N
XLogP3.64
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane with MolForge

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Related Compounds

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
2-[[6-(3-aminopyrrolidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;tert-butyl N-[1-(6-aminopyrimidin-4-yl)pyrrolidin-3-yl]carbamate;6-chloropyrimidin-4-amine;N-pyrrolidin-3-ylacetamide
CID 158037569
2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 87641079
2-tert-butyl-4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 87695655
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 18506929
4-[4-[(5-cyano-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpiperidine-1-carboxylic acid
CID 87256398
N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 166887789
2-[[2-[[1-(dithiolane-3-carbonyl)piperidin-4-yl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 58263893
5-[4-[4-[(5-cyano-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylpiperidin-1-yl]-3-oxo-1,2-thiazole-4-carbonitrile
CID 58263456
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
2-[[6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde;N,3-dimethylbut-2-en-2-amine;ethane
CID 178020089

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane?
The IUPAC name of 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane (CID 142145219) is 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane.
What is the SMILES notation for 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane?
The canonical SMILES for 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane is CC.CC.N#Cc1cnc(Nc2cc(N3CCC(N)CC3)ncn2)s1.S.
What is the InChIKey of 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane?
The InChIKey is JVVMGYFEMPMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S.2C2H6.H2S/c14-6-10-7-16-13(21-10)19-11-5-12(18-8-17-11)20-3-1-9(15)2-4-20;2*1-2;/h5,7-9H,1-4,15H2,(H,16,17,18,19);2*1-2H3;1H2.
What are the key properties of 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane?
2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane has a molecular weight of 395.60 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-aminopiperidin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;ethane;sulfane is sourced from PubChem (CID 142145219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).