4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C21H30ClN5S — CID 30723281

IUPAC4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)s1
InChIInChI=1S/C21H30ClN5S/c1-24(2)21-23-20(22)19(28-21)16-25-10-6-9-18(15-25)27-13-11-26(12-14-27)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyJCNKMFIMNSOLFX-SFHVURJKSA-N
MW420.03 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 30723281) has the molecular formula C21H30ClN5S and a molecular weight of 420.03 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID30723281
Molecular FormulaC21H30ClN5S
Molecular Weight420.03 g/mol
Exact Mass419.19
IUPAC Name4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)s1
InChIInChI=1S/C21H30ClN5S/c1-24(2)21-23-20(22)19(28-21)16-25-10-6-9-18(15-25)27-13-11-26(12-14-27)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyJCNKMFIMNSOLFX-SFHVURJKSA-N
XLogP3.65
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.03
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574
1-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92671940
1-[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-4-phenylpiperazine
CID 92641150
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512
1-(3-chlorophenyl)-4-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]piperazine
CID 29029571
2-[2-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45201583
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
1-phenyl-4-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]piperazine
CID 29025981
1-(3-chlorophenyl)-4-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]piperazine
CID 30722364
(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 95337645
3-[[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 45207862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 30723281) is 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is CN(C)c1nc(Cl)c(CN2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is JCNKMFIMNSOLFX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30ClN5S/c1-24(2)21-23-20(22)19(28-21)16-25-10-6-9-18(15-25)27-13-11-26(12-14-27)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1.
What are the key properties of 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 420.03 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 30723281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).