5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine

C10H18N2S — CID 163663942

IUPAC5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
SMILESCC(C)c1nc(N)c(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-6(2)9-12-8(11)7(13-9)10(3,4)5/h6H,11H2,1-5H3
InChIKeyIWTHAMNCQRMXNA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.15
Rot. Bonds1

About 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine

5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine (PubChem CID 163663942) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
PubChem CID163663942
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
SMILESCC(C)c1nc(N)c(C(C)(C)C)s1
InChIInChI=1S/C10H18N2S/c1-6(2)9-12-8(11)7(13-9)10(3,4)5/h6H,11H2,1-5H3
InChIKeyIWTHAMNCQRMXNA-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine (CID 163663942) is 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine is CC(C)c1nc(N)c(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine?
The InChIKey is IWTHAMNCQRMXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-6(2)9-12-8(11)7(13-9)10(3,4)5/h6H,11H2,1-5H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine?
5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine has a molecular weight of 198.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine is sourced from PubChem (CID 163663942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).