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

C18H20N6OS3 — CID 145104593

IUPAC4-[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
SMILESc1sc(NC2=NCCCN2)nc1-c1csc(-c2cnc(OC3CCCC3)s2)n1
InChIInChI=1S/C18H20N6OS3/c1-2-5-11(4-1)25-18-21-8-14(28-18)15-22-12(9-26-15)13-10-27-17(23-13)24-16-19-6-3-7-20-16/h8-11H,1-7H2,(H2,19,20,23,24)
InChIKeyTWRLJYWOIFCDJR-UHFFFAOYSA-N
MW432.60 g/mol
LogP4.47
Rot. Bonds5

About 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

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 (PubChem CID 145104593) has the molecular formula C18H20N6OS3 and a molecular weight of 432.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID145104593
Molecular FormulaC18H20N6OS3
Molecular Weight432.60 g/mol
Exact Mass432.09
IUPAC Name4-[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
SMILESc1sc(NC2=NCCCN2)nc1-c1csc(-c2cnc(OC3CCCC3)s2)n1
InChIInChI=1S/C18H20N6OS3/c1-2-5-11(4-1)25-18-21-8-14(28-18)15-22-12(9-26-15)13-10-27-17(23-13)24-16-19-6-3-7-20-16/h8-11H,1-7H2,(H2,19,20,23,24)
InChIKeyTWRLJYWOIFCDJR-UHFFFAOYSA-N
XLogP4.47
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.60
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
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
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
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
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-(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-[6-(4-propan-2-yloxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104207
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
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
4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105067
4-[6-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104830

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1sc(NC2=NCCCN2)nc1-c1csc(-c2cnc(OC3CCCC3)s2)n1.
What is the InChIKey of 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?
The InChIKey is TWRLJYWOIFCDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS3/c1-2-5-11(4-1)25-18-21-8-14(28-18)15-22-12(9-26-15)13-10-27-17(23-13)24-16-19-6-3-7-20-16/h8-11H,1-7H2,(H2,19,20,23,24).
What are the key properties of 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?
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 has a molecular weight of 432.60 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145104593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).