N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide

C15H24N4O2S — CID 91648931

IUPACN-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)CCc2cscn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2,3)17-14(21)19-8-6-18(7-9-19)13(20)5-4-12-10-22-11-16-12/h10-11H,4-9H2,1-3H3,(H,17,21)
InChIKeyMFISIXOTEQXVLO-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.73
Rot. Bonds3

About N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide

N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide (PubChem CID 91648931) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide
PubChem CID91648931
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)CCc2cscn2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2,3)17-14(21)19-8-6-18(7-9-19)13(20)5-4-12-10-22-11-16-12/h10-11H,4-9H2,1-3H3,(H,17,21)
InChIKeyMFISIXOTEQXVLO-UHFFFAOYSA-N
XLogP1.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 124614030
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
N-tert-butyl-4-[3-(4-methylphenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811775
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 86877940
4-phenyl-1-[3-(1,3-thiazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 84588728
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one;dihydrochloride
CID 120808866
3-fluoro-1-[3-(1,3-thiazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119258334
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
N-tert-butyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-1-carboxamide
CID 110811807
1-[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 138993878
N-tert-butyl-4-pentanoyl-1,4-diazepane-1-carboxamide
CID 110811353

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide (CID 91648931) is N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C(=O)CCc2cscn2)CC1.
What is the InChIKey of N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide?
The InChIKey is MFISIXOTEQXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-15(2,3)17-14(21)19-8-6-18(7-9-19)13(20)5-4-12-10-22-11-16-12/h10-11H,4-9H2,1-3H3,(H,17,21).
What are the key properties of N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide?
N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(1,3-thiazol-4-yl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 91648931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).