(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone

C18H18N2O2S — CID 23773346

IUPAC(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C(C)C)ccc3c2N)cc1
InChIInChI=1S/C18H18N2O2S/c1-10(2)14-9-8-13-15(19)17(23-18(13)20-14)16(21)11-4-6-12(22-3)7-5-11/h4-10H,19H2,1-3H3
InChIKeyBXUFODNVOFFDPF-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.24
Rot. Bonds4

About (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone

(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 23773346) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
PubChem CID23773346
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(C(C)C)ccc3c2N)cc1
InChIInChI=1S/C18H18N2O2S/c1-10(2)14-9-8-13-15(19)17(23-18(13)20-14)16(21)11-4-6-12(22-3)7-5-11/h4-10H,19H2,1-3H3
InChIKeyBXUFODNVOFFDPF-UHFFFAOYSA-N
XLogP4.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
CID 23744196
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone
CID 1004090
3-amino-N-(3,5-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23916849
3-amino-N-(2,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23888867
3-amino-N-cyclopropyl-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772104
3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23861077
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005120
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-methylphenyl)methanone
CID 765624
3-amino-N-(2-methylphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23832639
3-amino-N-[(4-methylphenyl)methyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970146
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970201
4-[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 25048869

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone (CID 23773346) is (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(C(C)C)ccc3c2N)cc1.
What is the InChIKey of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is BXUFODNVOFFDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10(2)14-9-8-13-15(19)17(23-18(13)20-14)16(21)11-4-6-12(22-3)7-5-11/h4-10H,19H2,1-3H3.
What are the key properties of (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 326.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propan-2-ylthieno[2,3-b]pyridin-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 23773346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).