N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C12H16N4O3S — CID 164639652

IUPACN-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCNC(=O)C[C@@H]2C)cs1
InChIInChI=1S/C12H16N4O3S/c1-7-5-10(18)13-3-4-16(7)11(19)9-6-20-12(15-9)14-8(2)17/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15,17)/t7-/m0/s1
InChIKeyCGCUMMCZWHWAHO-ZETCQYMHSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds2

About N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 164639652) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID164639652
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCNC(=O)C[C@@H]2C)cs1
InChIInChI=1S/C12H16N4O3S/c1-7-5-10(18)13-3-4-16(7)11(19)9-6-20-12(15-9)14-8(2)17/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15,17)/t7-/m0/s1
InChIKeyCGCUMMCZWHWAHO-ZETCQYMHSA-N
XLogP0.45
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 164639652) is N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCNC(=O)C[C@@H]2C)cs1.
What is the InChIKey of N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CGCUMMCZWHWAHO-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-5-10(18)13-3-4-16(7)11(19)9-6-20-12(15-9)14-8(2)17/h6-7H,3-5H2,1-2H3,(H,13,18)(H,14,15,17)/t7-/m0/s1.
What are the key properties of N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.35 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7S)-7-methyl-5-oxo-1,4-diazepane-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 164639652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).