N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine

C16H14N4OS — CID 167814107

IUPACN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine
SMILESCc1ccc(-c2ncc(CNc3ccc4[nH]ncc4c3)s2)o1
InChIInChI=1S/C16H14N4OS/c1-10-2-5-15(21-10)16-18-9-13(22-16)8-17-12-3-4-14-11(6-12)7-19-20-14/h2-7,9,17H,8H2,1H3,(H,19,20)
InChIKeyGQZUTLYXCRCINQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.20
Rot. Bonds4

About N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine

N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine (PubChem CID 167814107) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine
PubChem CID167814107
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine
SMILESCc1ccc(-c2ncc(CNc3ccc4[nH]ncc4c3)s2)o1
InChIInChI=1S/C16H14N4OS/c1-10-2-5-15(21-10)16-18-9-13(22-16)8-17-12-3-4-14-11(6-12)7-19-20-14/h2-7,9,17H,8H2,1H3,(H,19,20)
InChIKeyGQZUTLYXCRCINQ-UHFFFAOYSA-N
XLogP4.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine (CID 167814107) is N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine is Cc1ccc(-c2ncc(CNc3ccc4[nH]ncc4c3)s2)o1.
What is the InChIKey of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine?
The InChIKey is GQZUTLYXCRCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-10-2-5-15(21-10)16-18-9-13(22-16)8-17-12-3-4-14-11(6-12)7-19-20-14/h2-7,9,17H,8H2,1H3,(H,19,20).
What are the key properties of N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine?
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine has a molecular weight of 310.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 167814107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).