(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H16ClN5S — CID 105185942

IUPAC(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H16ClN5S/c1-11(2,3)10-9(18-16-15-10)7(13)8-6(12)5-14-17(8)4/h5,7H,13H2,1-4H3
InChIKeyCLDUNCHCCUGFNL-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.27
Rot. Bonds2

About (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine

(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 105185942) has the molecular formula C11H16ClN5S and a molecular weight of 285.80 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID105185942
Molecular FormulaC11H16ClN5S
Molecular Weight285.80 g/mol
Exact Mass285.08
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)c1snnc1C(C)(C)C
InChIInChI=1S/C11H16ClN5S/c1-11(2,3)10-9(18-16-15-10)7(13)8-6(12)5-14-17(8)4/h5,7H,13H2,1-4H3
InChIKeyCLDUNCHCCUGFNL-UHFFFAOYSA-N
XLogP2.27
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 105132690
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105046501
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
CID 114657389
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylthiadiazol-5-yl)methanamine
CID 105189938
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 105046611
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
(2-bromo-4-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114025423
(4-chloro-1-methylpyrazol-5-yl)-(2,4-dibromophenyl)methanamine
CID 107946860
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105166663
(3-bromothiophen-2-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105172943

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 105185942) is (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)c1snnc1C(C)(C)C.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is CLDUNCHCCUGFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5S/c1-11(2,3)10-9(18-16-15-10)7(13)8-6(12)5-14-17(8)4/h5,7H,13H2,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 285.80 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105185942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).