N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine

C15H24N4OS — CID 71918464

IUPACN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine
SMILESCOCCCn1ccc(NCc2cnc(C(C)(C)C)s2)n1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)14-17-11-12(21-14)10-16-13-6-8-19(18-13)7-5-9-20-4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18)
InChIKeyHACXXPGSLDPYIW-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.29
Rot. Bonds7

About N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine (PubChem CID 71918464) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine
PubChem CID71918464
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine
SMILESCOCCCn1ccc(NCc2cnc(C(C)(C)C)s2)n1
InChIInChI=1S/C15H24N4OS/c1-15(2,3)14-17-11-12(21-14)10-16-13-6-8-19(18-13)7-5-9-20-4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18)
InChIKeyHACXXPGSLDPYIW-UHFFFAOYSA-N
XLogP3.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine (CID 71918464) is N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine is COCCCn1ccc(NCc2cnc(C(C)(C)C)s2)n1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine?
The InChIKey is HACXXPGSLDPYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(2,3)14-17-11-12(21-14)10-16-13-6-8-19(18-13)7-5-9-20-4/h6,8,11H,5,7,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine?
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine has a molecular weight of 308.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxypropyl)pyrazol-3-amine is sourced from PubChem (CID 71918464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).