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

C9H16N2S — CID 62077346

IUPAC2,4-di(propan-2-yl)-1,3-thiazol-5-amine
SMILESCC(C)c1nc(C(C)C)c(N)s1
InChIInChI=1S/C9H16N2S/c1-5(2)7-8(10)12-9(11-7)6(3)4/h5-6H,10H2,1-4H3
InChIKeyOOTRWNZFSZPQEV-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.97
Rot. Bonds2

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

2,4-di(propan-2-yl)-1,3-thiazol-5-amine (PubChem CID 62077346) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-1,3-thiazol-5-amine
PubChem CID62077346
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2,4-di(propan-2-yl)-1,3-thiazol-5-amine
SMILESCC(C)c1nc(C(C)C)c(N)s1
InChIInChI=1S/C9H16N2S/c1-5(2)7-8(10)12-9(11-7)6(3)4/h5-6H,10H2,1-4H3
InChIKeyOOTRWNZFSZPQEV-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2,4-di(propan-2-yl)-1,3-thiazol-5-amine (CID 62077346) is 2,4-di(propan-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2,4-di(propan-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2,4-di(propan-2-yl)-1,3-thiazol-5-amine is CC(C)c1nc(C(C)C)c(N)s1.
What is the InChIKey of 2,4-di(propan-2-yl)-1,3-thiazol-5-amine?
The InChIKey is OOTRWNZFSZPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5(2)7-8(10)12-9(11-7)6(3)4/h5-6H,10H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-1,3-thiazol-5-amine?
2,4-di(propan-2-yl)-1,3-thiazol-5-amine has a molecular weight of 184.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62077346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).