N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine

C13H13N3OS — CID 86805535

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
SMILESCc1nc(C)c(CNc2nccc3occc23)s1
InChIInChI=1S/C13H13N3OS/c1-8-12(18-9(2)16-8)7-15-13-10-4-6-17-11(10)3-5-14-13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyIEXUOOPCGKZCQA-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.51
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine (PubChem CID 86805535) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
PubChem CID86805535
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
SMILESCc1nc(C)c(CNc2nccc3occc23)s1
InChIInChI=1S/C13H13N3OS/c1-8-12(18-9(2)16-8)7-15-13-10-4-6-17-11(10)3-5-14-13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyIEXUOOPCGKZCQA-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702757
N-(1,3-oxazol-4-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 166178354
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
N-(2-methoxyethyl)furo[3,2-c]pyridin-4-amine
CID 90356822
4-(furo[3,2-c]pyridin-4-ylamino)-3,3-dimethylbutan-1-ol
CID 103705336
N-(2-methylbutyl)furo[3,2-c]pyridin-4-amine
CID 106535128
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181566
N'-furo[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 106535052
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 79048062
N-[(3-fluorophenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702615
N-[(3-ethoxyphenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702660
N'-furo[3,2-c]pyridin-4-ylbutane-1,4-diamine
CID 106535053

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine (CID 86805535) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine is Cc1nc(C)c(CNc2nccc3occc23)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine?
The InChIKey is IEXUOOPCGKZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-12(18-9(2)16-8)7-15-13-10-4-6-17-11(10)3-5-14-13/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 86805535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).