(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

C18H24N4OS — CID 59338745

IUPAC(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCCN(C(C)C)CC1
InChIInChI=1S/C18H24N4OS/c1-13(2)21-9-6-10-22(12-11-21)18(23)16-14(3)20-17(24-16)15-7-4-5-8-19-15/h4-5,7-8,13H,6,9-12H2,1-3H3
InChIKeyOARHAMSOYAAUSG-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.07
Rot. Bonds3

About (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 59338745) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID59338745
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCc1nc(-c2ccccn2)sc1C(=O)N1CCCN(C(C)C)CC1
InChIInChI=1S/C18H24N4OS/c1-13(2)21-9-6-10-22(12-11-21)18(23)16-14(3)20-17(24-16)15-7-4-5-8-19-15/h4-5,7-8,13H,6,9-12H2,1-3H3
InChIKeyOARHAMSOYAAUSG-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59337994
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338506
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17411111
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 24512746
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 41323206
[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338234
N-hydroxy-3-methyl-5-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 58157757
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058233
1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328975

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (CID 59338745) is (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is Cc1nc(-c2ccccn2)sc1C(=O)N1CCCN(C(C)C)CC1.
What is the InChIKey of (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is OARHAMSOYAAUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(2)21-9-6-10-22(12-11-21)18(23)16-14(3)20-17(24-16)15-7-4-5-8-19-15/h4-5,7-8,13H,6,9-12H2,1-3H3.
What are the key properties of (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 59338745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).