5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

C17H24N2S2 — CID 79760535

IUPAC5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H24N2S2/c1-5-10-18-16-19-11-15(21-16)12-20-14-8-6-13(7-9-14)17(2,3)4/h6-9,11H,5,10,12H2,1-4H3,(H,18,19)
InChIKeyYKXLEWZENNEIMA-UHFFFAOYSA-N
MW320.53 g/mol
LogP5.55
Rot. Bonds6

About 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine

5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79760535) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79760535
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC Name5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C17H24N2S2/c1-5-10-18-16-19-11-15(21-16)12-20-14-8-6-13(7-9-14)17(2,3)4/h6-9,11H,5,10,12H2,1-4H3,(H,18,19)
InChIKeyYKXLEWZENNEIMA-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine (CID 79760535) is 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CSc2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is YKXLEWZENNEIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-5-10-18-16-19-11-15(21-16)12-20-14-8-6-13(7-9-14)17(2,3)4/h6-9,11H,5,10,12H2,1-4H3,(H,18,19).
What are the key properties of 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 320.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79760535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).