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

C12H12N4S — CID 25167077

IUPACN-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C12H12N4S/c1-2-13-12-15-11(7-17-12)8-3-4-10-9(5-8)6-14-16-10/h3-7H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyPYHCYHNXLIEWSB-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.12
Rot. Bonds3

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

N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 25167077) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
PubChem CID25167077
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C12H12N4S/c1-2-13-12-15-11(7-17-12)8-3-4-10-9(5-8)6-14-16-10/h3-7H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyPYHCYHNXLIEWSB-UHFFFAOYSA-N
XLogP3.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine (CID 25167077) is N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine is CCNc1nc(-c2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is PYHCYHNXLIEWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-2-13-12-15-11(7-17-12)8-3-4-10-9(5-8)6-14-16-10/h3-7H,2H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine?
N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-indazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25167077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).