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

C13H18N4OS — CID 54868537

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C13H18N4OS/c1-10-14-6-13(19-10)7-15-11-5-16-17(8-11)9-12-3-2-4-18-12/h5-6,8,12,15H,2-4,7,9H2,1H3
InChIKeyMHAAEEFHHJCUEO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.44
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 54868537) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID54868537
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ncc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C13H18N4OS/c1-10-14-6-13(19-10)7-15-11-5-16-17(8-11)9-12-3-2-4-18-12/h5-6,8,12,15H,2-4,7,9H2,1H3
InChIKeyMHAAEEFHHJCUEO-UHFFFAOYSA-N
XLogP2.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 54868537) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1ncc(CNc2cnn(CC3CCCO3)c2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is MHAAEEFHHJCUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-14-6-13(19-10)7-15-11-5-16-17(8-11)9-12-3-2-4-18-12/h5-6,8,12,15H,2-4,7,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 54868537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).