N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H21N3O2S — CID 99820915

IUPACN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC[C@@](NC(=O)c1sc(C)nc1C)(C(N)=O)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-6-13(7(2)3,12(14)18)16-11(17)10-8(4)15-9(5)19-10/h7H,6H2,1-5H3,(H2,14,18)(H,16,17)/t13-/m0/s1
InChIKeyFUTZXQZASRUGBM-ZDUSSCGKSA-N
MW283.40 g/mol
LogP1.78
Rot. Bonds5

About N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 99820915) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID99820915
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC[C@@](NC(=O)c1sc(C)nc1C)(C(N)=O)C(C)C
InChIInChI=1S/C13H21N3O2S/c1-6-13(7(2)3,12(14)18)16-11(17)10-8(4)15-9(5)19-10/h7H,6H2,1-5H3,(H2,14,18)(H,16,17)/t13-/m0/s1
InChIKeyFUTZXQZASRUGBM-ZDUSSCGKSA-N
XLogP1.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 99820915) is N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CC[C@@](NC(=O)c1sc(C)nc1C)(C(N)=O)C(C)C.
What is the InChIKey of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FUTZXQZASRUGBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-6-13(7(2)3,12(14)18)16-11(17)10-8(4)15-9(5)19-10/h7H,6H2,1-5H3,(H2,14,18)(H,16,17)/t13-/m0/s1.
What are the key properties of N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99820915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).