(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide

C14H22N4O2S — CID 97226995

IUPAC(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C14H22N4O2S/c1-4-11-12(19)15-5-6-18(11)14(20)17-13-16-8-10(21-13)7-9(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyIEDFAGLSGMCDND-NSHDSACASA-N
MW310.42 g/mol
LogP2.08
Rot. Bonds4

About (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide

(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide (PubChem CID 97226995) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide
PubChem CID97226995
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide
SMILESCC[C@H]1C(=O)NCCN1C(=O)Nc1ncc(CC(C)C)s1
InChIInChI=1S/C14H22N4O2S/c1-4-11-12(19)15-5-6-18(11)14(20)17-13-16-8-10(21-13)7-9(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,17,20)/t11-/m0/s1
InChIKeyIEDFAGLSGMCDND-NSHDSACASA-N
XLogP2.08
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-2-oxo-N-[(2S)-1-oxo-1-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentan-2-yl]butanamide
CID 44435497
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-[2-(Dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75500154
(2S)-1-(2-methylpropanoyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 94192420
(2S)-N-(5-propyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 137999972
3-(2-amino-1,3-thiazol-5-yl)-N-[(3S)-1-cyclohexyl-2-oxopyrrolidin-3-yl]propanamide
CID 164640262
(4,4-Difluoropyrrolidin-2-yl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 120352426
(2R,4S)-4-fluoro-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 121825986
4,4-difluoro-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 121825989
3,3,3-trifluoro-2-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide
CID 121833429
5-oxo-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 121833727
4,4,4-trifluoro-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)butanamide
CID 121833912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide (CID 97226995) is (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide is CC[C@H]1C(=O)NCCN1C(=O)Nc1ncc(CC(C)C)s1.
What is the InChIKey of (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide?
The InChIKey is IEDFAGLSGMCDND-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-4-11-12(19)15-5-6-18(11)14(20)17-13-16-8-10(21-13)7-9(2)3/h8-9,11H,4-7H2,1-3H3,(H,15,19)(H,16,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide?
(2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 97226995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).