2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride

C15H26Cl2N4O2S — CID 119426693

IUPAC2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-15(2,3)13(21)19-14-18-11(9-22-14)7-12(20)17-10-5-4-6-16-8-10;;/h9-10,16H,4-8H2,1-3H3,(H,17,20)(H,18,19,21);2*1H
InChIKeyKZLFQFFBHFIZJD-UHFFFAOYSA-N
MW397.37 g/mol
LogP2.38
Rot. Bonds4

About 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride

2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride (PubChem CID 119426693) has the molecular formula C15H26Cl2N4O2S and a molecular weight of 397.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
PubChem CID119426693
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC Name2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C15H24N4O2S.2ClH/c1-15(2,3)13(21)19-14-18-11(9-22-14)7-12(20)17-10-5-4-6-16-8-10;;/h9-10,16H,4-8H2,1-3H3,(H,17,20)(H,18,19,21);2*1H
InChIKeyKZLFQFFBHFIZJD-UHFFFAOYSA-N
XLogP2.38
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 18568227
N-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119416389
2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451077
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
CID 87173211
2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
N-[4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119374849
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119428889
2,2-dimethyl-N-[4-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propanamide
CID 120731282
2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The IUPAC name of 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride (CID 119426693) is 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride is CC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCNC2)cs1.Cl.Cl.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride?
The InChIKey is KZLFQFFBHFIZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-15(2,3)13(21)19-14-18-11(9-22-14)7-12(20)17-10-5-4-6-16-8-10;;/h9-10,16H,4-8H2,1-3H3,(H,17,20)(H,18,19,21);2*1H.
What are the key properties of 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride?
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119426693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).