2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine

C10H16N2S — CID 62077368

IUPAC2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C2CC2)c(N)s1
InChIInChI=1S/C10H16N2S/c1-10(2,3)9-12-7(6-4-5-6)8(11)13-9/h6H,4-5,11H2,1-3H3
InChIKeyWISHWUVPKXBCKE-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.90
Rot. Bonds1

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

2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine (PubChem CID 62077368) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine
PubChem CID62077368
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine
SMILESCC(C)(C)c1nc(C2CC2)c(N)s1
InChIInChI=1S/C10H16N2S/c1-10(2,3)9-12-7(6-4-5-6)8(11)13-9/h6H,4-5,11H2,1-3H3
InChIKeyWISHWUVPKXBCKE-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine?
The IUPAC name of 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine (CID 62077368) is 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine is CC(C)(C)c1nc(C2CC2)c(N)s1.
What is the InChIKey of 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine?
The InChIKey is WISHWUVPKXBCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2,3)9-12-7(6-4-5-6)8(11)13-9/h6H,4-5,11H2,1-3H3.
What are the key properties of 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine?
2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine has a molecular weight of 196.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).