4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C17H19N7S2 — CID 145104831

IUPAC4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(Cc1cscn1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C17H19N7S2/c1-24(8-12-9-25-11-20-12)15-5-2-4-13(21-15)14-10-26-17(22-14)23-16-18-6-3-7-19-16/h2,4-5,9-11H,3,6-8H2,1H3,(H2,18,19,22,23)
InChIKeyXCFYGBKUKUCHHC-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.06
Rot. Bonds5

About 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104831) has the molecular formula C17H19N7S2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104831
Molecular FormulaC17H19N7S2
Molecular Weight385.52 g/mol
Exact Mass385.11
IUPAC Name4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(Cc1cscn1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1
InChIInChI=1S/C17H19N7S2/c1-24(8-12-9-25-11-20-12)15-5-2-4-13(21-15)14-10-26-17(22-14)23-16-18-6-3-7-19-16/h2,4-5,9-11H,3,6-8H2,1H3,(H2,18,19,22,23)
InChIKeyXCFYGBKUKUCHHC-UHFFFAOYSA-N
XLogP3.06
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104831) is 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CN(Cc1cscn1)c1cccc(-c2csc(NC3=NCCCN3)n2)n1.
What is the InChIKey of 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is XCFYGBKUKUCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7S2/c1-24(8-12-9-25-11-20-12)15-5-2-4-13(21-15)14-10-26-17(22-14)23-16-18-6-3-7-19-16/h2,4-5,9-11H,3,6-8H2,1H3,(H2,18,19,22,23).
What are the key properties of 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 385.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).