3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

C19H18N4OS2 — CID 43812056

IUPAC3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2cc1C
InChIInChI=1S/C19H18N4OS2/c1-8-5-12-7-13-15(20)16(26-18(13)22-14(12)6-9(8)2)17(24)23-19-21-10(3)11(4)25-19/h5-7H,20H2,1-4H3,(H,21,23,24)
InChIKeyJIZMGPRJNRFUSK-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.97
Rot. Bonds2

About 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 43812056) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID43812056
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1cc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2cc1C
InChIInChI=1S/C19H18N4OS2/c1-8-5-12-7-13-15(20)16(26-18(13)22-14(12)6-9(8)2)17(24)23-19-21-10(3)11(4)25-19/h5-7H,20H2,1-4H3,(H,21,23,24)
InChIKeyJIZMGPRJNRFUSK-UHFFFAOYSA-N
XLogP4.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (CID 43812056) is 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is Cc1cc2cc3c(N)c(C(=O)Nc4nc(C)c(C)s4)sc3nc2cc1C.
What is the InChIKey of 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is JIZMGPRJNRFUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-8-5-12-7-13-15(20)16(26-18(13)22-14(12)6-9(8)2)17(24)23-19-21-10(3)11(4)25-19/h5-7H,20H2,1-4H3,(H,21,23,24).
What are the key properties of 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 43812056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).