[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C20H27N5OS — CID 170504503

IUPAC[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(Nc3nc4c(s3)CCCCCC4)c2)CC1
InChIInChI=1S/C20H27N5OS/c1-24-10-12-25(13-11-24)19(26)15-8-9-21-18(14-15)23-20-22-16-6-4-2-3-5-7-17(16)27-20/h8-9,14H,2-7,10-13H2,1H3,(H,21,22,23)
InChIKeyWDXJPTUMDGICIK-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.33
Rot. Bonds3

About [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 170504503) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID170504503
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(Nc3nc4c(s3)CCCCCC4)c2)CC1
InChIInChI=1S/C20H27N5OS/c1-24-10-12-25(13-11-24)19(26)15-8-9-21-18(14-15)23-20-22-16-6-4-2-3-5-7-17(16)27-20/h8-9,14H,2-7,10-13H2,1H3,(H,21,22,23)
InChIKeyWDXJPTUMDGICIK-UHFFFAOYSA-N
XLogP3.33
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 135115677
[2-(3-bromoanilino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168528
(4-methylpiperazin-1-yl)-[2-(2,3,4-trifluoroanilino)-4-pyridinyl]methanone
CID 109168549
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 62178983
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 30376724
1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxylic acid
CID 155083556
[2-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]amino]-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 70744470
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
CID 114767423
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
3,5-difluoro-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzoic acid
CID 63185449

Frequently Asked Questions

What is the IUPAC name of [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 170504503) is [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccnc(Nc3nc4c(s3)CCCCCC4)c2)CC1.
What is the InChIKey of [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WDXJPTUMDGICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-24-10-12-25(13-11-24)19(26)15-8-9-21-18(14-15)23-20-22-16-6-4-2-3-5-7-17(16)27-20/h8-9,14H,2-7,10-13H2,1H3,(H,21,22,23).
What are the key properties of [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 385.54 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylamino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 170504503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).