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

C17H18N6S2 — CID 145105105

IUPAC4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(-c3csc(NC4=NCCCN4)n3)cs2)cnc1C
InChIInChI=1S/C17H18N6S2/c1-10-6-12(7-20-11(10)2)15-21-13(8-24-15)14-9-25-17(22-14)23-16-18-4-3-5-19-16/h6-9H,3-5H2,1-2H3,(H2,18,19,22,23)
InChIKeyIJSLVQKUAUKQQC-UHFFFAOYSA-N
MW370.51 g/mol
LogP3.71
Rot. Bonds3

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

4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145105105) has the molecular formula C17H18N6S2 and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145105105
Molecular FormulaC17H18N6S2
Molecular Weight370.51 g/mol
Exact Mass370.10
IUPAC Name4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(-c3csc(NC4=NCCCN4)n3)cs2)cnc1C
InChIInChI=1S/C17H18N6S2/c1-10-6-12(7-20-11(10)2)15-21-13(8-24-15)14-9-25-17(22-14)23-16-18-4-3-5-19-16/h6-9H,3-5H2,1-2H3,(H2,18,19,22,23)
InChIKeyIJSLVQKUAUKQQC-UHFFFAOYSA-N
XLogP3.71
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104108
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[2-[4-methyl-6-[(E)-3-methylsulfonylprop-1-enoxy]-3-pyridinyl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104452
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
4-[2-(2-cyclopentyloxy-1,3-thiazol-5-yl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104593
4-[2-[3-(3-methoxypropoxy)-1-methylpyrazol-5-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104942
4-[2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104085
3-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]pyrimidin-2-yl]benzonitrile
CID 145104275
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145105105) is 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Cc1cc(-c2nc(-c3csc(NC4=NCCCN4)n3)cs2)cnc1C.
What is the InChIKey of 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IJSLVQKUAUKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S2/c1-10-6-12(7-20-11(10)2)15-21-13(8-24-15)14-9-25-17(22-14)23-16-18-4-3-5-19-16/h6-9H,3-5H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 370.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145105105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).