N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine

C16H14ClN3S — CID 43788137

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
SMILESClc1ccc2c(c1)C(Nc1cccc3cn[nH]c13)CCS2
InChIInChI=1S/C16H14ClN3S/c17-11-4-5-15-12(8-11)13(6-7-21-15)19-14-3-1-2-10-9-18-20-16(10)14/h1-5,8-9,13,19H,6-7H2,(H,18,20)
InChIKeyQPAZVDTUFSKKJJ-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.87
Rot. Bonds2

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine (PubChem CID 43788137) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
PubChem CID43788137
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine
SMILESClc1ccc2c(c1)C(Nc1cccc3cn[nH]c13)CCS2
InChIInChI=1S/C16H14ClN3S/c17-11-4-5-15-12(8-11)13(6-7-21-15)19-14-3-1-2-10-9-18-20-16(10)14/h1-5,8-9,13,19H,6-7H2,(H,18,20)
InChIKeyQPAZVDTUFSKKJJ-UHFFFAOYSA-N
XLogP4.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine (CID 43788137) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine is Clc1ccc2c(c1)C(Nc1cccc3cn[nH]c13)CCS2.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine?
The InChIKey is QPAZVDTUFSKKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c17-11-4-5-15-12(8-11)13(6-7-21-15)19-14-3-1-2-10-9-18-20-16(10)14/h1-5,8-9,13,19H,6-7H2,(H,18,20).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine has a molecular weight of 315.83 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1H-indazol-7-amine is sourced from PubChem (CID 43788137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).