[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C17H23N5OS — CID 56819304

IUPAC[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13-12-24-17(19-13)22-8-4-7-21(9-10-22)16(23)14-5-6-15(18-11-14)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYDVBORNNOKTHQP-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.27
Rot. Bonds3

About [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819304) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819304
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-13-12-24-17(19-13)22-8-4-7-21(9-10-22)16(23)14-5-6-15(18-11-14)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyYDVBORNNOKTHQP-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
[6-(dimethylamino)-3-pyridinyl]-[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 138386158
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47897487
(1-hydroxycyclopentyl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 110907587
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819128
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 75416999
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 86981441
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819304) is [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)n1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is YDVBORNNOKTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13-12-24-17(19-13)22-8-4-7-21(9-10-22)16(23)14-5-6-15(18-11-14)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).