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

C20H35ClN4O2S — CID 26327285

IUPAC4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOCCN1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H35ClN4O2S/c1-23(2)20-22-19(21)18(28-20)15-25(14-17-5-4-11-27-17)13-16-6-8-24(9-7-16)10-12-26-3/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyIWKQMYDMRFLSHO-KRWDZBQOSA-N
MW431.05 g/mol
LogP3.20
Rot. Bonds10

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

4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 26327285) has the molecular formula C20H35ClN4O2S and a molecular weight of 431.05 g/mol. Its IUPAC name is 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID26327285
Molecular FormulaC20H35ClN4O2S
Molecular Weight431.05 g/mol
Exact Mass430.22
IUPAC Name4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOCCN1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1
InChIInChI=1S/C20H35ClN4O2S/c1-23(2)20-22-19(21)18(28-20)15-25(14-17-5-4-11-27-17)13-16-6-8-24(9-7-16)10-12-26-3/h16-17H,4-15H2,1-3H3/t17-/m0/s1
InChIKeyIWKQMYDMRFLSHO-KRWDZBQOSA-N
XLogP3.20
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.05
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45242953
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45174931
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]methanamine
CID 42404129
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)-N-[(2-prop-2-enoxycyclohexyl)methyl]methanamine
CID 171442484
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 29209581
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45202660

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 26327285) is 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is COCCN1CCC(CN(Cc2sc(N(C)C)nc2Cl)C[C@@H]2CCCO2)CC1.
What is the InChIKey of 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IWKQMYDMRFLSHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H35ClN4O2S/c1-23(2)20-22-19(21)18(28-20)15-25(14-17-5-4-11-27-17)13-16-6-8-24(9-7-16)10-12-26-3/h16-17H,4-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 431.05 g/mol, XLogP of 3.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26327285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).