4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C20H32N6O2S — CID 127025088

IUPAC4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1
InChIInChI=1S/C20H32N6O2S/c1-20(2,3)26-7-6-21-15(12-26)17(27)24-8-10-25(11-9-24)19(28)23-18-22-16(13-29-18)14-4-5-14/h13-15,21H,4-12H2,1-3H3,(H,22,23,28)/t15-/m1/s1
InChIKeyMSXGNVYEPRQYKG-OAHLLOKOSA-N
MW420.58 g/mol
LogP1.77
Rot. Bonds3

About 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 127025088) has the molecular formula C20H32N6O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID127025088
Molecular FormulaC20H32N6O2S
Molecular Weight420.58 g/mol
Exact Mass420.23
IUPAC Name4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1
InChIInChI=1S/C20H32N6O2S/c1-20(2,3)26-7-6-21-15(12-26)17(27)24-8-10-25(11-9-24)19(28)23-18-22-16(13-29-18)14-4-5-14/h13-15,21H,4-12H2,1-3H3,(H,22,23,28)/t15-/m1/s1
InChIKeyMSXGNVYEPRQYKG-OAHLLOKOSA-N
XLogP1.77
TPSA80.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(5-chloro-4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127025087
1-acetyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 32864406
2-[4-(2-Acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 95828053
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258692
1-(2-amino-2-oxoethyl)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-piperidinecarboxamide
CID 70771268
4-(2-amino-2-oxoethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48795302
1-(1-Cyclopentylpiperidin-4-yl)-3-(4-cyclopropyl-1,3-thiazol-2-yl)urea
CID 71863048
3-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 71864253
1-(4-Butan-2-yl-1,3-thiazol-2-yl)-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 71870196
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 71877907
2-[(4-butan-2-yl-1,3-thiazol-2-yl)carbamoylamino]-N-methylacetamide
CID 72117315
1-Cyclohexyl-3-(4-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)thiazol-2-yl)urea
CID 41211604

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 127025088) is 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1.
What is the InChIKey of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is MSXGNVYEPRQYKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N6O2S/c1-20(2,3)26-7-6-21-15(12-26)17(27)24-8-10-25(11-9-24)19(28)23-18-22-16(13-29-18)14-4-5-14/h13-15,21H,4-12H2,1-3H3,(H,22,23,28)/t15-/m1/s1.
What are the key properties of 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-tert-butylpiperazine-2-carbonyl]-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127025088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).