piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride

C14H24Cl2N4OS — CID 119863925

IUPACpiperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4OS.2ClH/c19-13(12-3-1-4-15-11-12)17-6-2-7-18(9-8-17)14-16-5-10-20-14;;/h5,10,12,15H,1-4,6-9,11H2;2*1H
InChIKeySMKCERVGVOYOJB-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.03
Rot. Bonds2

About piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride

piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride (PubChem CID 119863925) has the molecular formula C14H24Cl2N4OS and a molecular weight of 367.35 g/mol. Its IUPAC name is piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
PubChem CID119863925
Molecular FormulaC14H24Cl2N4OS
Molecular Weight367.35 g/mol
Exact Mass366.10
IUPAC Namepiperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4OS.2ClH/c19-13(12-3-1-4-15-11-12)17-6-2-7-18(9-8-17)14-16-5-10-20-14;;/h5,10,12,15H,1-4,6-9,11H2;2*1H
InChIKeySMKCERVGVOYOJB-UHFFFAOYSA-N
XLogP2.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 120634143
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119894196
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
morpholin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 119863934
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The IUPAC name of piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride (CID 119863925) is piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride.
What is the SMILES notation for piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The canonical SMILES for piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CCCNC1)N1CCCN(c2nccs2)CC1.
What is the InChIKey of piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The InChIKey is SMKCERVGVOYOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS.2ClH/c19-13(12-3-1-4-15-11-12)17-6-2-7-18(9-8-17)14-16-5-10-20-14;;/h5,10,12,15H,1-4,6-9,11H2;2*1H.
What are the key properties of piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride has a molecular weight of 367.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119863925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).