5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine

C11H21N3S — CID 114364576

IUPAC5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1CNC(C)(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-8-9(15-10(12)14-8)7-13-11(2,3)4/h13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFGPKTZJCFWPBIN-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.57
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 114364576) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID114364576
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1CNC(C)(C)C
InChIInChI=1S/C11H21N3S/c1-5-6-8-9(15-10(12)14-8)7-13-11(2,3)4/h13H,5-7H2,1-4H3,(H2,12,14)
InChIKeyFGPKTZJCFWPBIN-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine (CID 114364576) is 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is FGPKTZJCFWPBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-8-9(15-10(12)14-8)7-13-11(2,3)4/h13H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114364576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).