1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine

C14H22BrN5S — CID 105183959

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
SMILESCNC(c1snnc1C(C)(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H22BrN5S/c1-8(2)20-11(9(15)7-17-20)10(16-6)12-13(14(3,4)5)18-19-21-12/h7-8,10,16H,1-6H3
InChIKeyJWRHAEWIVAUHKC-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 105183959) has the molecular formula C14H22BrN5S and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID105183959
Molecular FormulaC14H22BrN5S
Molecular Weight372.34 g/mol
Exact Mass371.08
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
SMILESCNC(c1snnc1C(C)(C)C)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H22BrN5S/c1-8(2)20-11(9(15)7-17-20)10(16-6)12-13(14(3,4)5)18-19-21-12/h7-8,10,16H,1-6H3
InChIKeyJWRHAEWIVAUHKC-UHFFFAOYSA-N
XLogP3.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105183986
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105183842
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103134552
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105173976
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517138
1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186785
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine (CID 105183959) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine is CNC(c1snnc1C(C)(C)C)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is JWRHAEWIVAUHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5S/c1-8(2)20-11(9(15)7-17-20)10(16-6)12-13(14(3,4)5)18-19-21-12/h7-8,10,16H,1-6H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 372.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105183959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).