5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C14H25N3S2 — CID 55117695

IUPAC5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNC(C)(C)C
InChIInChI=1S/C14H25N3S2/c1-10-12(8-15-14(2,3)4)19-13(16-10)17(5)11-6-7-18-9-11/h11,15H,6-9H2,1-5H3
InChIKeyLKUQGAOXGDEWHF-UHFFFAOYSA-N
MW299.51 g/mol
LogP3.28
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 55117695) has the molecular formula C14H25N3S2 and a molecular weight of 299.51 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID55117695
Molecular FormulaC14H25N3S2
Molecular Weight299.51 g/mol
Exact Mass299.15
IUPAC Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCSC2)sc1CNC(C)(C)C
InChIInChI=1S/C14H25N3S2/c1-10-12(8-15-14(2,3)4)19-13(16-10)17(5)11-6-7-18-9-11/h11,15H,6-9H2,1-5H3
InChIKeyLKUQGAOXGDEWHF-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 55117695) is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCSC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is LKUQGAOXGDEWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S2/c1-10-12(8-15-14(2,3)4)19-13(16-10)17(5)11-6-7-18-9-11/h11,15H,6-9H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 299.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).