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

C14H20N4OS — CID 60983421

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C14H20N4OS/c1-2-14-16-8-13(20-14)7-15-11-6-17-18(9-11)10-12-4-3-5-19-12/h6,8-9,12,15H,2-5,7,10H2,1H3
InChIKeyFAEDBDXOAJTTMZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.69
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 60983421) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID60983421
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C14H20N4OS/c1-2-14-16-8-13(20-14)7-15-11-6-17-18(9-11)10-12-4-3-5-19-12/h6,8-9,12,15H,2-5,7,10H2,1H3
InChIKeyFAEDBDXOAJTTMZ-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 60983421) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is CCc1ncc(CNc2cnn(CC3CCCO3)c2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is FAEDBDXOAJTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-14-16-8-13(20-14)7-15-11-6-17-18(9-11)10-12-4-3-5-19-12/h6,8-9,12,15H,2-5,7,10H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 60983421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).