5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine

C14H21N5S2 — CID 103383687

IUPAC5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC2CCN(C)C(C)C2)cs1
InChIInChI=1S/C14H21N5S2/c1-8-6-10(4-5-19(8)3)17-14-12(13(15)18-21-14)11-7-20-9(2)16-11/h7-8,10,17H,4-6H2,1-3H3,(H2,15,18)
InChIKeyXGBDYTXVUNMKNB-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.05
Rot. Bonds3

About 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine

5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103383687) has the molecular formula C14H21N5S2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
PubChem CID103383687
Molecular FormulaC14H21N5S2
Molecular Weight323.49 g/mol
Exact Mass323.12
IUPAC Name5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
SMILESCc1nc(-c2c(N)nsc2NC2CCN(C)C(C)C2)cs1
InChIInChI=1S/C14H21N5S2/c1-8-6-10(4-5-19(8)3)17-14-12(13(15)18-21-14)11-7-20-9(2)16-11/h7-8,10,17H,4-6H2,1-3H3,(H2,15,18)
InChIKeyXGBDYTXVUNMKNB-UHFFFAOYSA-N
XLogP3.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine (CID 103383687) is 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is Cc1nc(-c2c(N)nsc2NC2CCN(C)C(C)C2)cs1.
What is the InChIKey of 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is XGBDYTXVUNMKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S2/c1-8-6-10(4-5-19(8)3)17-14-12(13(15)18-21-14)11-7-20-9(2)16-11/h7-8,10,17H,4-6H2,1-3H3,(H2,15,18).
What are the key properties of 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine?
5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 323.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,2-dimethylpiperidin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).