N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide

C13H20N4O2S — CID 110086467

IUPACN-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cscn2)CCN1C(C)C
InChIInChI=1S/C13H20N4O2S/c1-9(2)17-5-4-16(6-11(17)12(18)14-3)13(19)10-7-20-8-15-10/h7-9,11H,4-6H2,1-3H3,(H,14,18)
InChIKeyNZBZNYCVHIXUOQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.42
Rot. Bonds3

About N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide

N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 110086467) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID110086467
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cscn2)CCN1C(C)C
InChIInChI=1S/C13H20N4O2S/c1-9(2)17-5-4-16(6-11(17)12(18)14-3)13(19)10-7-20-8-15-10/h7-9,11H,4-6H2,1-3H3,(H,14,18)
InChIKeyNZBZNYCVHIXUOQ-UHFFFAOYSA-N
XLogP0.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
(2R)-4-(2-aminopyridine-3-carbonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 124946415
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[(3aR,6aS)-2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97402070
8-methyl-2-(1,3-thiazole-4-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50979351
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide (CID 110086467) is N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)c2cscn2)CCN1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is NZBZNYCVHIXUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(2)17-5-4-16(6-11(17)12(18)14-3)13(19)10-7-20-8-15-10/h7-9,11H,4-6H2,1-3H3,(H,14,18).
What are the key properties of N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-4-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).