2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine

C14H26N2S — CID 82432448

IUPAC2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCCCc1nc(C(CC)CC)sc1C(C)(C)N
InChIInChI=1S/C14H26N2S/c1-6-9-11-12(14(4,5)15)17-13(16-11)10(7-2)8-3/h10H,6-9,15H2,1-5H3
InChIKeyLFUBOOPPIDOBHS-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.19
Rot. Bonds6

About 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine

2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine (PubChem CID 82432448) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
PubChem CID82432448
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
SMILESCCCc1nc(C(CC)CC)sc1C(C)(C)N
InChIInChI=1S/C14H26N2S/c1-6-9-11-12(14(4,5)15)17-13(16-11)10(7-2)8-3/h10H,6-9,15H2,1-5H3
InChIKeyLFUBOOPPIDOBHS-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine (CID 82432448) is 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine is CCCc1nc(C(CC)CC)sc1C(C)(C)N.
What is the InChIKey of 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is LFUBOOPPIDOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-9-11-12(14(4,5)15)17-13(16-11)10(7-2)8-3/h10H,6-9,15H2,1-5H3.
What are the key properties of 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine?
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82432448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).