furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C14H17N3O2S — CID 47381052

IUPACfuran-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C14H17N3O2S/c1-11-10-20-14(15-11)17-5-2-4-16(6-7-17)13(18)12-3-8-19-9-12/h3,8-10H,2,4-7H2,1H3
InChIKeyPCEDSPVISYUFKP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.40
Rot. Bonds2

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

furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 47381052) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID47381052
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Namefuran-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3ccoc3)CC2)n1
InChIInChI=1S/C14H17N3O2S/c1-11-10-20-14(15-11)17-5-2-4-16(6-7-17)13(18)12-3-8-19-9-12/h3,8-10H,2,4-7H2,1H3
InChIKeyPCEDSPVISYUFKP-UHFFFAOYSA-N
XLogP2.40
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819304
(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-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]-(oxan-4-yl)methanone
CID 25268514
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110710921
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
(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-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 60573249
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
1,1,1-trifluoro-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 86895884

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 47381052) is furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3ccoc3)CC2)n1.
What is the InChIKey of furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is PCEDSPVISYUFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-10-20-14(15-11)17-5-2-4-16(6-7-17)13(18)12-3-8-19-9-12/h3,8-10H,2,4-7H2,1H3.
What are the key properties of furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 47381052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).