N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

C24H19BrN4S2 — CID 110502433

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4nc(-c5ccc(Br)cc5)cs4)c23)cc1
InChIInChI=1S/C24H19BrN4S2/c1-14(2)15-3-5-16(6-4-15)19-11-30-23-21(19)22(26-13-27-23)29-24-28-20(12-31-24)17-7-9-18(25)10-8-17/h3-14H,1-2H3,(H,26,27,28,29)
InChIKeyKVDPTYNLXKVSKH-UHFFFAOYSA-N
MW507.48 g/mol
LogP8.11
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 110502433) has the molecular formula C24H19BrN4S2 and a molecular weight of 507.48 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID110502433
Molecular FormulaC24H19BrN4S2
Molecular Weight507.48 g/mol
Exact Mass506.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2csc3ncnc(Nc4nc(-c5ccc(Br)cc5)cs4)c23)cc1
InChIInChI=1S/C24H19BrN4S2/c1-14(2)15-3-5-16(6-4-15)19-11-30-23-21(19)22(26-13-27-23)29-24-28-20(12-31-24)17-7-9-18(25)10-8-17/h3-14H,1-2H3,(H,26,27,28,29)
InChIKeyKVDPTYNLXKVSKH-UHFFFAOYSA-N
XLogP8.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.48
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110502520
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110502466
N-(2-propan-2-ylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695510
N-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499100
N-(2-methylphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011105
5-(4-propan-2-ylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110447011
N-(4-chloro-2-pyridinyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110499132
N-(2-phenoxyphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695605
5-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 110496254
4-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 21011137
5-(4-propan-2-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]thieno[2,3-d]pyrimidin-4-amine
CID 110499123
5-(4-bromophenyl)-N-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011309

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 110502433) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2csc3ncnc(Nc4nc(-c5ccc(Br)cc5)cs4)c23)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KVDPTYNLXKVSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN4S2/c1-14(2)15-3-5-16(6-4-15)19-11-30-23-21(19)22(26-13-27-23)29-24-28-20(12-31-24)17-7-9-18(25)10-8-17/h3-14H,1-2H3,(H,26,27,28,29).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 507.48 g/mol, XLogP of 8.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110502433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).