N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

C12H18N4S — CID 83088560

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1cc(CNc2nccs2)c(C(C)(C)C)n1
InChIInChI=1S/C12H18N4S/c1-12(2,3)10-9(8-16(4)15-10)7-14-11-13-5-6-17-11/h5-6,8H,7H2,1-4H3,(H,13,14)
InChIKeyBEXATIZREABBRV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.79
Rot. Bonds3

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 83088560) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID83088560
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1cc(CNc2nccs2)c(C(C)(C)C)n1
InChIInChI=1S/C12H18N4S/c1-12(2,3)10-9(8-16(4)15-10)7-14-11-13-5-6-17-11/h5-6,8H,7H2,1-4H3,(H,13,14)
InChIKeyBEXATIZREABBRV-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine (CID 83088560) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is Cn1cc(CNc2nccs2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BEXATIZREABBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,3)10-9(8-16(4)15-10)7-14-11-13-5-6-17-11/h5-6,8H,7H2,1-4H3,(H,13,14).
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83088560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).