N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide

C16H19N3O4S2 — CID 71788225

IUPACN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c(C)o1
InChIInChI=1S/C16H19N3O4S2/c1-9-7-12(10(2)23-9)15(20)18-16-17-13-5-6-19(8-14(13)24-16)25(21,22)11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,17,18,20)
InChIKeyKXUITSRWVYXSLV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.46
Rot. Bonds4

About N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 71788225) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID71788225
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c(C)o1
InChIInChI=1S/C16H19N3O4S2/c1-9-7-12(10(2)23-9)15(20)18-16-17-13-5-6-19(8-14(13)24-16)25(21,22)11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,17,18,20)
InChIKeyKXUITSRWVYXSLV-UHFFFAOYSA-N
XLogP2.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 71788225) is N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)c(C)o1.
What is the InChIKey of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is KXUITSRWVYXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-9-7-12(10(2)23-9)15(20)18-16-17-13-5-6-19(8-14(13)24-16)25(21,22)11-3-4-11/h7,11H,3-6,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71788225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).