N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide

C17H21N3O3S — CID 94796886

IUPACN-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1
InChIInChI=1S/C17H21N3O3S/c1-10-6-7-14(23-10)16-18-11(2)15(24-16)17(22)20-8-4-5-13(9-20)19-12(3)21/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNCKIHFNOTPNBBR-ZDUSSCGKSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds3

About N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide

N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide (PubChem CID 94796886) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
PubChem CID94796886
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1
InChIInChI=1S/C17H21N3O3S/c1-10-6-7-14(23-10)16-18-11(2)15(24-16)17(22)20-8-4-5-13(9-20)19-12(3)21/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNCKIHFNOTPNBBR-ZDUSSCGKSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825
(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119375760
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 119624366
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 38414533
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120814689
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487802
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51949221
[2-(1-aminoethyl)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436791
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 120746669
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[(2R)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 97071448
2-methyl-N-[1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]piperidin-3-yl]propanamide
CID 51132636

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide (CID 94796886) is N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)C1.
What is the InChIKey of N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide?
The InChIKey is NCKIHFNOTPNBBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-6-7-14(23-10)16-18-11(2)15(24-16)17(22)20-8-4-5-13(9-20)19-12(3)21/h6-7,13H,4-5,8-9H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 94796886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).