(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide

C17H28N4O2S — CID 51860796

IUPAC(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C
InChIInChI=1S/C17H28N4O2S/c1-11(2)15(18-13(4)22)16(23)20-17-19-14(10-24-17)9-21-7-5-6-12(3)8-21/h10-12,15H,5-9H2,1-4H3,(H,18,22)(H,19,20,23)/t12-,15-/m1/s1
InChIKeyMWBQKHFSICSDKB-IUODEOHRSA-N
MW352.50 g/mol
LogP2.47
Rot. Bonds6

About (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide

(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 51860796) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID51860796
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C
InChIInChI=1S/C17H28N4O2S/c1-11(2)15(18-13(4)22)16(23)20-17-19-14(10-24-17)9-21-7-5-6-12(3)8-21/h10-12,15H,5-9H2,1-4H3,(H,18,22)(H,19,20,23)/t12-,15-/m1/s1
InChIKeyMWBQKHFSICSDKB-IUODEOHRSA-N
XLogP2.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
(2R)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 100841717
3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119831165
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 46680102
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
2-methyl-N-[4-[2-[4-[(3-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55798546
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide (CID 51860796) is (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide is CC(=O)N[C@@H](C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is MWBQKHFSICSDKB-IUODEOHRSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-11(2)15(18-13(4)22)16(23)20-17-19-14(10-24-17)9-21-7-5-6-12(3)8-21/h10-12,15H,5-9H2,1-4H3,(H,18,22)(H,19,20,23)/t12-,15-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide?
(2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 352.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methyl-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 51860796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).