2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride

C18H22Cl2N4OS2 — CID 120600464

IUPAC2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CCN1.Cl.Cl
InChIInChI=1S/C18H20N4OS2.2ClH/c1-11-9-13(7-8-19-11)20-16(23)14-10-15-17(24-14)22-18(25-15)21-12-5-3-2-4-6-12;;/h2-6,10-11,13,19H,7-9H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyWUGPSFHYRLYVRR-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.82
Rot. Bonds4

About 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride

2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride (PubChem CID 120600464) has the molecular formula C18H22Cl2N4OS2 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
PubChem CID120600464
Molecular FormulaC18H22Cl2N4OS2
Molecular Weight445.44 g/mol
Exact Mass444.06
IUPAC Name2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CCN1.Cl.Cl
InChIInChI=1S/C18H20N4OS2.2ClH/c1-11-9-13(7-8-19-11)20-16(23)14-10-15-17(24-14)22-18(25-15)21-12-5-3-2-4-6-12;;/h2-6,10-11,13,19H,7-9H2,1H3,(H,20,23)(H,21,22);2*1H
InChIKeyWUGPSFHYRLYVRR-UHFFFAOYSA-N
XLogP4.82
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride (CID 120600464) is 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride is CC1CC(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)CCN1.Cl.Cl.
What is the InChIKey of 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride?
The InChIKey is WUGPSFHYRLYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2.2ClH/c1-11-9-13(7-8-19-11)20-16(23)14-10-15-17(24-14)22-18(25-15)21-12-5-3-2-4-6-12;;/h2-6,10-11,13,19H,7-9H2,1H3,(H,20,23)(H,21,22);2*1H.
What are the key properties of 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride?
2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride has a molecular weight of 445.44 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).