N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide

C14H24N4OS — CID 95716547

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C14H24N4OS/c1-10(13-11(2)20-12(3)15-13)17(5)14(19)18-8-6-16(4)7-9-18/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyVQGIKXSHYVWFKT-JTQLQIEISA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds2

About N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide (PubChem CID 95716547) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide
PubChem CID95716547
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C14H24N4OS/c1-10(13-11(2)20-12(3)15-13)17(5)14(19)18-8-6-16(4)7-9-18/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyVQGIKXSHYVWFKT-JTQLQIEISA-N
XLogP2.12
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Urea, N-(2-(2-((aminoiminomethyl)amino)-6,7-dihydrothiazolo(5,4-c)pyridin-5(4H)-yl)ethyl)-N'-(1-methylethyl)-
CID 3088605
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1-propylpiperidin-4-yl)urea
CID 56783169
N~2~-[(dimethylamino)carbonyl]-N~1~-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]glycinamide
CID 91794831
N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
CID 119039277
2-tert-butyl-4-fluoro-N-(hydroxymethyl)-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 58747625
2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 59464018
2-tert-butyl-4-fluoro-N,N-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 59630959
2-ethyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 88908561
4-fluoro-N-methoxy-N,2-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
CID 89535410
N-[(4-Ethyl-2-methyl-1,3-thiazol-5-YL)methyl]-4,4-difluoropiperidine-1-carboxamide
CID 124211891
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylurea
CID 56900043
N-[1-(2,5-Dimethyl-1,3-thiazol-4-YL)ethyl]-3-(4-methylpiperazin-1-YL)propanamide
CID 118793013

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide (CID 95716547) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide is Cc1nc([C@H](C)N(C)C(=O)N2CCN(C)CC2)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
The InChIKey is VQGIKXSHYVWFKT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(13-11(2)20-12(3)15-13)17(5)14(19)18-8-6-16(4)7-9-18/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 95716547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).