1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C15H24N4S — CID 103572490

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C15H24N4S/c1-6-7-19-9-11(8-17-19)13(16-5)14-18-12(10-20-14)15(2,3)4/h8-10,13,16H,6-7H2,1-5H3
InChIKeyIAXRUNNOILZYKV-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 103572490) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID103572490
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C15H24N4S/c1-6-7-19-9-11(8-17-19)13(16-5)14-18-12(10-20-14)15(2,3)4/h8-10,13,16H,6-7H2,1-5H3
InChIKeyIAXRUNNOILZYKV-UHFFFAOYSA-N
XLogP3.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62544279
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79568651
N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 103572490) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2nc(C(C)(C)C)cs2)cn1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is IAXRUNNOILZYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-7-19-9-11(8-17-19)13(16-5)14-18-12(10-20-14)15(2,3)4/h8-10,13,16H,6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 292.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103572490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).