[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine

C12H18N4S — CID 114360940

IUPAC[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1cc(-c2nc(C(C)(C)C)c(CN)s2)cn1
InChIInChI=1S/C12H18N4S/c1-12(2,3)10-9(5-13)17-11(15-10)8-6-14-16(4)7-8/h6-7H,5,13H2,1-4H3
InChIKeyPXFKJTUUWLOHTM-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.30
Rot. Bonds2

About [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114360940) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114360940
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1cc(-c2nc(C(C)(C)C)c(CN)s2)cn1
InChIInChI=1S/C12H18N4S/c1-12(2,3)10-9(5-13)17-11(15-10)8-6-14-16(4)7-8/h6-7H,5,13H2,1-4H3
InChIKeyPXFKJTUUWLOHTM-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361075
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
2-(1-methylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201319
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134
N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626848
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119653466
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
[5-(1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 55281996
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine (CID 114360940) is [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine is Cn1cc(-c2nc(C(C)(C)C)c(CN)s2)cn1.
What is the InChIKey of [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PXFKJTUUWLOHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-12(2,3)10-9(5-13)17-11(15-10)8-6-14-16(4)7-8/h6-7H,5,13H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).