5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C14H21N5S — CID 103360134

IUPAC5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC(CCN(C)C)Nc1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H21N5S/c1-10(6-8-19(2)3)17-14-12(13(15)18-20-14)11-5-4-7-16-9-11/h4-5,7,9-10,17H,6,8H2,1-3H3,(H2,15,18)
InChIKeyZJQCBKAREOGSFG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.54
Rot. Bonds6

About 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360134) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103360134
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC(CCN(C)C)Nc1snc(N)c1-c1cccnc1
InChIInChI=1S/C14H21N5S/c1-10(6-8-19(2)3)17-14-12(13(15)18-20-14)11-5-4-7-16-9-11/h4-5,7,9-10,17H,6,8H2,1-3H3,(H2,15,18)
InChIKeyZJQCBKAREOGSFG-UHFFFAOYSA-N
XLogP2.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103360134) is 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CC(CCN(C)C)Nc1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is ZJQCBKAREOGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10(6-8-19(2)3)17-14-12(13(15)18-20-14)11-5-4-7-16-9-11/h4-5,7,9-10,17H,6,8H2,1-3H3,(H2,15,18).
What are the key properties of 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(dimethylamino)butan-2-yl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).