4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

C18H16N4S — CID 25167275

IUPAC4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1
InChIInChI=1S/C18H16N4S/c1-2-4-13(5-3-1)8-9-19-18-21-17(12-23-18)14-6-7-16-15(10-14)11-20-22-16/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22)
InChIKeyCULJEMIZFZIMCZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.34
Rot. Bonds5

About 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 25167275) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID25167275
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESc1ccc(CCNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1
InChIInChI=1S/C18H16N4S/c1-2-4-13(5-3-1)8-9-19-18-21-17(12-23-18)14-6-7-16-15(10-14)11-20-22-16/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22)
InChIKeyCULJEMIZFZIMCZ-UHFFFAOYSA-N
XLogP4.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 8902468
(S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654255
N-benzyl-4-(1H-indazol-5-yl)-5-phenylthiazol-2-amine
CID 25164678
4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine
CID 25167075
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
N-ethyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167077
N-benzyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167078
4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167079
(S)-N1-(5-(1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880371
4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 3934902
(2E)-3-(2H-indazol-6-ylamino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 1934348

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 25167275) is 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is c1ccc(CCNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1.
What is the InChIKey of 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is CULJEMIZFZIMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-2-4-13(5-3-1)8-9-19-18-21-17(12-23-18)14-6-7-16-15(10-14)11-20-22-16/h1-7,10-12H,8-9H2,(H,19,21)(H,20,22).
What are the key properties of 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25167275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).