2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide

C15H24N4O2S — CID 71986778

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1csc(C(C)(C)NCC(=O)NC2CCCCNC2=O)n1
InChIInChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-8-12(20)19-11-6-4-5-7-16-13(11)21/h9,11,17H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyVENOBTIXBCKQCW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.06
Rot. Bonds5

About 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide

2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 71986778) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide
PubChem CID71986778
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide
SMILESCc1csc(C(C)(C)NCC(=O)NC2CCCCNC2=O)n1
InChIInChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-8-12(20)19-11-6-4-5-7-16-13(11)21/h9,11,17H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyVENOBTIXBCKQCW-UHFFFAOYSA-N
XLogP1.06
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 96577447
2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 97071122
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831
2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94151205
N-[(3R)-2-oxoazepan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97152900
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide (CID 71986778) is 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide is Cc1csc(C(C)(C)NCC(=O)NC2CCCCNC2=O)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is VENOBTIXBCKQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10-9-22-14(18-10)15(2,3)17-8-12(20)19-11-6-4-5-7-16-13(11)21/h9,11,17H,4-8H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide?
2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 71986778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).