(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide

C14H22N4O2S — CID 164641447

IUPAC(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2nc(C(C)(C)C)cs2)CC(=O)N1
InChIInChI=1S/C14H22N4O2S/c1-9-6-18(7-11(19)16-9)13(20)15-5-12-17-10(8-21-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,20)(H,16,19)/t9-/m0/s1
InChIKeyTXIRPKOCIKXWFI-VIFPVBQESA-N
MW310.42 g/mol
LogP1.47
Rot. Bonds2

About (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide

(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide (PubChem CID 164641447) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide
PubChem CID164641447
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)NCc2nc(C(C)(C)C)cs2)CC(=O)N1
InChIInChI=1S/C14H22N4O2S/c1-9-6-18(7-11(19)16-9)13(20)15-5-12-17-10(8-21-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,20)(H,16,19)/t9-/m0/s1
InChIKeyTXIRPKOCIKXWFI-VIFPVBQESA-N
XLogP1.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-tert-butyl-1,3-thiazol-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001026
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
2-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102962114
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanamide
CID 118766173
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119878896

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide?
The IUPAC name of (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide (CID 164641447) is (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide?
The canonical SMILES for (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide is C[C@H]1CN(C(=O)NCc2nc(C(C)(C)C)cs2)CC(=O)N1.
What is the InChIKey of (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide?
The InChIKey is TXIRPKOCIKXWFI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-6-18(7-11(19)16-9)13(20)15-5-12-17-10(8-21-12)14(2,3)4/h8-9H,5-7H2,1-4H3,(H,15,20)(H,16,19)/t9-/m0/s1.
What are the key properties of (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide?
(3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methyl-5-oxopiperazine-1-carboxamide is sourced from PubChem (CID 164641447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).