(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

C19H18N2O2S — CID 166210041

IUPAC(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCc3occc3C2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-20-17(14-6-3-2-4-7-14)18(24-13)19(22)21-10-5-8-16-15(12-21)9-11-23-16/h2-4,6-7,9,11H,5,8,10,12H2,1H3
InChIKeyKTFSWGUUKSGUEZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.30
Rot. Bonds2

About (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (PubChem CID 166210041) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
PubChem CID166210041
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCCc3occc3C2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-20-17(14-6-3-2-4-7-14)18(24-13)19(22)21-10-5-8-16-15(12-21)9-11-23-16/h2-4,6-7,9,11H,5,8,10,12H2,1H3
InChIKeyKTFSWGUUKSGUEZ-UHFFFAOYSA-N
XLogP4.30
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 38211021
(3R)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 99821823
(6-methylpyridazin-3-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 128714957
(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167859052
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 70709910
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
[2-(propan-2-ylamino)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808667
(5S)-9-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715470

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The IUPAC name of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone (CID 166210041) is (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The canonical SMILES for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCCc3occc3C2)s1.
What is the InChIKey of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
The InChIKey is KTFSWGUUKSGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-20-17(14-6-3-2-4-7-14)18(24-13)19(22)21-10-5-8-16-15(12-21)9-11-23-16/h2-4,6-7,9,11H,5,8,10,12H2,1H3.
What are the key properties of (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone?
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone is sourced from PubChem (CID 166210041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).