(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide

C14H22N4O2S — CID 124949688

IUPAC(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1nc(C)c(CC(=O)N2CCN(C)C[C@H](C(N)=O)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-9-12(21-10(2)16-9)6-13(19)18-5-4-17(3)7-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20)/t11-/m0/s1
InChIKeyCVWFJSJRQSUPNU-NSHDSACASA-N
MW310.42 g/mol
LogP0.18
Rot. Bonds3

About (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide

(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124949688) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide
PubChem CID124949688
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide
SMILESCc1nc(C)c(CC(=O)N2CCN(C)C[C@H](C(N)=O)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-9-12(21-10(2)16-9)6-13(19)18-5-4-17(3)7-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20)/t11-/m0/s1
InChIKeyCVWFJSJRQSUPNU-NSHDSACASA-N
XLogP0.18
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
1-methyl-4-[2-(2-methylphenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127247811
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
5-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56706913
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110368094
1-[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 72889611
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 110368119
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 70780037
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096396
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide (CID 124949688) is (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide is Cc1nc(C)c(CC(=O)N2CCN(C)C[C@H](C(N)=O)C2)s1.
What is the InChIKey of (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is CVWFJSJRQSUPNU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-12(21-10(2)16-9)6-13(19)18-5-4-17(3)7-11(8-18)14(15)20/h11H,4-8H2,1-3H3,(H2,15,20)/t11-/m0/s1.
What are the key properties of (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide?
(6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-4-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124949688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).