1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C14H23N5S — CID 103030592

IUPAC1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-14(2,3)13-12(20-18-17-13)11(15-4)7-6-10-8-9-16-19(10)5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyULLKBPFMMKEWJV-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.46
Rot. Bonds5

About 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030592) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030592
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)c1snnc1C(C)(C)C
InChIInChI=1S/C14H23N5S/c1-14(2,3)13-12(20-18-17-13)11(15-4)7-6-10-8-9-16-19(10)5/h8-9,11,15H,6-7H2,1-5H3
InChIKeyULLKBPFMMKEWJV-UHFFFAOYSA-N
XLogP2.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148734
1-(3-ethylthiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030584
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
N-methyl-3-(2-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 103030866
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105158676
1-(furan-3-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010290
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
1-(5-chlorothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030434
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030592) is 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is ULLKBPFMMKEWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-14(2,3)13-12(20-18-17-13)11(15-4)7-6-10-8-9-16-19(10)5/h8-9,11,15H,6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).