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

C14H22N4OS — CID 116665334

IUPAC[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc(NC3CC3)nc2N)C(C)C1
InChIInChI=1S/C14H22N4OS/c1-8-5-6-18(9(2)7-8)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCCSNEMJXIKCNIU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.56
Rot. Bonds3

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

[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 116665334) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID116665334
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sc(NC3CC3)nc2N)C(C)C1
InChIInChI=1S/C14H22N4OS/c1-8-5-6-18(9(2)7-8)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyCCSNEMJXIKCNIU-UHFFFAOYSA-N
XLogP2.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone (CID 116665334) is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2sc(NC3CC3)nc2N)C(C)C1.
What is the InChIKey of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is CCSNEMJXIKCNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8-5-6-18(9(2)7-8)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone?
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 116665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).