[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone

C15H26N4OS — CID 116665237

IUPAC[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1C
InChIInChI=1S/C15H26N4OS/c1-9-7-6-8-19(10(9)2)13(20)11-12(16)17-14(21-11)18-15(3,4)5/h9-10H,6-8,16H2,1-5H3,(H,17,18)
InChIKeySNLSIMLEVZCOBV-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.20
Rot. Bonds2

About [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 116665237) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID116665237
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1C
InChIInChI=1S/C15H26N4OS/c1-9-7-6-8-19(10(9)2)13(20)11-12(16)17-14(21-11)18-15(3,4)5/h9-10H,6-8,16H2,1-5H3,(H,17,18)
InChIKeySNLSIMLEVZCOBV-UHFFFAOYSA-N
XLogP3.20
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone (CID 116665237) is [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2sc(NC(C)(C)C)nc2N)C1C.
What is the InChIKey of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is SNLSIMLEVZCOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-9-7-6-8-19(10(9)2)13(20)11-12(16)17-14(21-11)18-15(3,4)5/h9-10H,6-8,16H2,1-5H3,(H,17,18).
What are the key properties of [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone?
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 310.47 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116665237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).