N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C26H28F2N4S — CID 145045138

IUPACN-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(F)F)cc1NC1=NCCCN1
InChIInChI=1S/C26H28F2N4S/c1-16-11-20(21(25(27)28)14-22(16)32-26-29-9-4-10-30-26)13-24-31-23(15-33-24)19-8-7-17-5-2-3-6-18(17)12-19/h7-8,11-12,14-15,25H,2-6,9-10,13H2,1H3,(H2,29,30,32)
InChIKeyDXFJXIIWCLJFKS-UHFFFAOYSA-N
MW466.60 g/mol
LogP6.29
Rot. Bonds5

About N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145045138) has the molecular formula C26H28F2N4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145045138
Molecular FormulaC26H28F2N4S
Molecular Weight466.60 g/mol
Exact Mass466.20
IUPAC NameN-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(F)F)cc1NC1=NCCCN1
InChIInChI=1S/C26H28F2N4S/c1-16-11-20(21(25(27)28)14-22(16)32-26-29-9-4-10-30-26)13-24-31-23(15-33-24)19-8-7-17-5-2-3-6-18(17)12-19/h7-8,11-12,14-15,25H,2-6,9-10,13H2,1H3,(H2,29,30,32)
InChIKeyDXFJXIIWCLJFKS-UHFFFAOYSA-N
XLogP6.29
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145045138) is N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1cc(Cc2nc(-c3ccc4c(c3)CCCC4)cs2)c(C(F)F)cc1NC1=NCCCN1.
What is the InChIKey of N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is DXFJXIIWCLJFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4S/c1-16-11-20(21(25(27)28)14-22(16)32-26-29-9-4-10-30-26)13-24-31-23(15-33-24)19-8-7-17-5-2-3-6-18(17)12-19/h7-8,11-12,14-15,25H,2-6,9-10,13H2,1H3,(H2,29,30,32).
What are the key properties of N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 466.60 g/mol, XLogP of 6.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145045138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).