2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide

C14H23N3O2S — CID 135098575

IUPAC2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCCc1nc(C)c(CNC(=O)C(CC)NC(C)=O)s1
InChIInChI=1S/C14H23N3O2S/c1-5-7-13-16-9(3)12(20-13)8-15-14(19)11(6-2)17-10(4)18/h11H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKPLXMODEIFEAGI-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.93
Rot. Bonds7

About 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide

2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 135098575) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID135098575
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCCc1nc(C)c(CNC(=O)C(CC)NC(C)=O)s1
InChIInChI=1S/C14H23N3O2S/c1-5-7-13-16-9(3)12(20-13)8-15-14(19)11(6-2)17-10(4)18/h11H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKPLXMODEIFEAGI-UHFFFAOYSA-N
XLogP1.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 122558312
2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122568398
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]urea
CID 131936227
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
2-(2-chloro-6-fluorophenyl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91783367
1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
CID 74249509
2-(1-ethylpiperidin-4-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]acetamide
CID 72919535
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
CID 119891888
(3R)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276822
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 72886154
(9S)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125447573
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
CID 110421255

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide (CID 135098575) is 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide is CCCc1nc(C)c(CNC(=O)C(CC)NC(C)=O)s1.
What is the InChIKey of 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is KPLXMODEIFEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-7-13-16-9(3)12(20-13)8-15-14(19)11(6-2)17-10(4)18/h11H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide?
2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 297.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 135098575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).