N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride

C17H19ClN4OS2 — CID 137356303

IUPACN-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2.Cl
InChIInChI=1S/C17H18N4OS2.ClH/c1-8-6-12-15(9(2)19-8)21-17(23-12)14-11-4-5-18-7-13(11)24-16(14)20-10(3)22;/h6,18H,4-5,7H2,1-3H3,(H,20,22);1H
InChIKeyHZHSRJFNKILWTA-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.06
Rot. Bonds2

About N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride

N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride (PubChem CID 137356303) has the molecular formula C17H19ClN4OS2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride
PubChem CID137356303
Molecular FormulaC17H19ClN4OS2
Molecular Weight394.95 g/mol
Exact Mass394.07
IUPAC NameN-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2.Cl
InChIInChI=1S/C17H18N4OS2.ClH/c1-8-6-12-15(9(2)19-8)21-17(23-12)14-11-4-5-18-7-13(11)24-16(14)20-10(3)22;/h6,18H,4-5,7H2,1-3H3,(H,20,22);1H
InChIKeyHZHSRJFNKILWTA-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride (CID 137356303) is N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride is CC(=O)Nc1sc2c(c1-c1nc3c(C)nc(C)cc3s1)CCNC2.Cl.
What is the InChIKey of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride?
The InChIKey is HZHSRJFNKILWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2.ClH/c1-8-6-12-15(9(2)19-8)21-17(23-12)14-11-4-5-18-7-13(11)24-16(14)20-10(3)22;/h6,18H,4-5,7H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride?
N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride has a molecular weight of 394.95 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 137356303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).