4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C22H30ClN5O2S — CID 166319617

IUPAC4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)CC1CCN(c2ccccc2NC(=O)c2sc(N3CCOCC3)nc2Cl)CC1
InChIInChI=1S/C22H30ClN5O2S/c1-26(2)15-16-7-9-27(10-8-16)18-6-4-3-5-17(18)24-21(29)19-20(23)25-22(31-19)28-11-13-30-14-12-28/h3-6,16H,7-15H2,1-2H3,(H,24,29)
InChIKeyANXWMFRUOYSSOH-UHFFFAOYSA-N
MW464.04 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 166319617) has the molecular formula C22H30ClN5O2S and a molecular weight of 464.04 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID166319617
Molecular FormulaC22H30ClN5O2S
Molecular Weight464.04 g/mol
Exact Mass463.18
IUPAC Name4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCN(C)CC1CCN(c2ccccc2NC(=O)c2sc(N3CCOCC3)nc2Cl)CC1
InChIInChI=1S/C22H30ClN5O2S/c1-26(2)15-16-7-9-27(10-8-16)18-6-4-3-5-17(18)24-21(29)19-20(23)25-22(31-19)28-11-13-30-14-12-28/h3-6,16H,7-15H2,1-2H3,(H,24,29)
InChIKeyANXWMFRUOYSSOH-UHFFFAOYSA-N
XLogP3.66
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.04
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
CID 166277960
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
4-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80687246
5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrazine-2-carboxamide
CID 109275329
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
6-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109124354
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 166319617) is 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CN(C)CC1CCN(c2ccccc2NC(=O)c2sc(N3CCOCC3)nc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ANXWMFRUOYSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2S/c1-26(2)15-16-7-9-27(10-8-16)18-6-4-3-5-17(18)24-21(29)19-20(23)25-22(31-19)28-11-13-30-14-12-28/h3-6,16H,7-15H2,1-2H3,(H,24,29).
What are the key properties of 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 464.04 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166319617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).