5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide

C15H19N3O3S — CID 119035214

IUPAC5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide
SMILESCCC(C)CC(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1
InChIInChI=1S/C15H19N3O3S/c1-4-8(2)5-13(19)18-15-17-11(7-22-15)10-6-12(14(16)20)21-9(10)3/h6-8H,4-5H2,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeySKRUJBAPPFAZQD-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.19
Rot. Bonds6

About 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide

5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide (PubChem CID 119035214) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide
PubChem CID119035214
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide
SMILESCCC(C)CC(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1
InChIInChI=1S/C15H19N3O3S/c1-4-8(2)5-13(19)18-15-17-11(7-22-15)10-6-12(14(16)20)21-9(10)3/h6-8H,4-5H2,1-3H3,(H2,16,20)(H,17,18,19)
InChIKeySKRUJBAPPFAZQD-UHFFFAOYSA-N
XLogP3.19
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[2-[[(3R)-3-methylpentanoyl]amino]-1,3-thiazol-4-yl]furan-2-carboxamide
CID 100704513
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
4-[2-[[4-methoxy-3-(2-methylpyrazol-3-yl)benzoyl]amino]-1,3-thiazol-4-yl]-5-methylfuran-2-carboxamide
CID 166193471
(3S)-3-phenyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 7924768
3-(1,3-benzothiazol-2-yl)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 55922394
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
(2R)-2-(cyclopropylmethoxy)-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide
CID 52539367
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55976415
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55921614
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46972105

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide (CID 119035214) is 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide is CCC(C)CC(=O)Nc1nc(-c2cc(C(N)=O)oc2C)cs1.
What is the InChIKey of 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide?
The InChIKey is SKRUJBAPPFAZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-8(2)5-13(19)18-15-17-11(7-22-15)10-6-12(14(16)20)21-9(10)3/h6-8H,4-5H2,1-3H3,(H2,16,20)(H,17,18,19).
What are the key properties of 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide?
5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 119035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).