N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C15H22N4OS — CID 43745457

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(CC3CCCO3)c2)c(C)s1
InChIInChI=1S/C15H22N4OS/c1-10(15-11(2)21-12(3)18-15)17-13-7-16-19(8-13)9-14-5-4-6-20-14/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyDMPDRCSAYDBMRZ-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745457) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745457
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1nc(C(C)Nc2cnn(CC3CCCO3)c2)c(C)s1
InChIInChI=1S/C15H22N4OS/c1-10(15-11(2)21-12(3)18-15)17-13-7-16-19(8-13)9-14-5-4-6-20-14/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyDMPDRCSAYDBMRZ-UHFFFAOYSA-N
XLogP3.31
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745457) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1nc(C(C)Nc2cnn(CC3CCCO3)c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is DMPDRCSAYDBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(15-11(2)21-12(3)18-15)17-13-7-16-19(8-13)9-14-5-4-6-20-14/h7-8,10,14,17H,4-6,9H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 306.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).