(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide

C13H20N4O2S — CID 124943372

IUPAC(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
SMILESCc1nc(CC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)cs1
InChIInChI=1S/C13H20N4O2S/c1-9-15-11(8-20-9)5-12(18)17-4-3-16(2)6-10(7-17)13(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)/t10-/m1/s1
InChIKeyBCALEVHUQDETGG-SNVBAGLBSA-N
MW296.40 g/mol
LogP-0.13
Rot. Bonds3

About (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide

(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide (PubChem CID 124943372) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
PubChem CID124943372
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
SMILESCc1nc(CC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)cs1
InChIInChI=1S/C13H20N4O2S/c1-9-15-11(8-20-9)5-12(18)17-4-3-16(2)6-10(7-17)13(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)/t10-/m1/s1
InChIKeyBCALEVHUQDETGG-SNVBAGLBSA-N
XLogP-0.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 125020200
(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 124949688
1-methyl-4-[2-(2-methylphenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127247811
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 70716310
3-cyclopentyl-1-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 134020946
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210

Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide (CID 124943372) is (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide is Cc1nc(CC(=O)N2CCN(C)C[C@@H](C(N)=O)C2)cs1.
What is the InChIKey of (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide?
The InChIKey is BCALEVHUQDETGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-15-11(8-20-9)5-12(18)17-4-3-16(2)6-10(7-17)13(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)/t10-/m1/s1.
What are the key properties of (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide?
(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide has a molecular weight of 296.40 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124943372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).