N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C14H20N4OS — CID 43745592

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(CC3CCCO3)c2)cs1
InChIInChI=1S/C14H20N4OS/c1-10(14-9-20-11(2)17-14)16-12-6-15-18(7-12)8-13-4-3-5-19-13/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyRDEHZGCNSKGWMB-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745592) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745592
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(CC3CCCO3)c2)cs1
InChIInChI=1S/C14H20N4OS/c1-10(14-9-20-11(2)17-14)16-12-6-15-18(7-12)8-13-4-3-5-19-13/h6-7,9-10,13,16H,3-5,8H2,1-2H3
InChIKeyRDEHZGCNSKGWMB-UHFFFAOYSA-N
XLogP3.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745592) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1nc(C(C)Nc2cnn(CC3CCCO3)c2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is RDEHZGCNSKGWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(14-9-20-11(2)17-14)16-12-6-15-18(7-12)8-13-4-3-5-19-13/h6-7,9-10,13,16H,3-5,8H2,1-2H3.
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 292.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).