(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C17H24N4OS2 — CID 47897487

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1
InChIInChI=1S/C17H24N4OS2/c1-12-11-23-16(19-12)21-7-5-6-20(8-9-21)14(22)13-10-18-15(24-13)17(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeySMVDFZZSXLPKMZ-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.56
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 47897487) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID47897487
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1
InChIInChI=1S/C17H24N4OS2/c1-12-11-23-16(19-12)21-7-5-6-20(8-9-21)14(22)13-10-18-15(24-13)17(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeySMVDFZZSXLPKMZ-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819304
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
(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
1,1,1-trifluoro-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 86895884
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 60573249
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 47893545
(1-hydroxycyclopentyl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 110907587
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 167790601
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 100893373

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 47897487) is (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3cnc(C(C)(C)C)s3)CC2)n1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is SMVDFZZSXLPKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-12-11-23-16(19-12)21-7-5-6-20(8-9-21)14(22)13-10-18-15(24-13)17(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 364.54 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 47897487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).