N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C19H15BrN4O2S2 — CID 41189976

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C
InChIInChI=1S/C19H15BrN4O2S2/c1-10-11(2)28-17-16(10)18(26)24(9-21-17)7-15(25)23-19-22-14(8-27-19)12-3-5-13(20)6-4-12/h3-6,8-9H,7H2,1-2H3,(H,22,23,25)
InChIKeyDTNNUMWHABPEIC-UHFFFAOYSA-N
MW475.39 g/mol
LogP4.60
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 41189976) has the molecular formula C19H15BrN4O2S2 and a molecular weight of 475.39 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID41189976
Molecular FormulaC19H15BrN4O2S2
Molecular Weight475.39 g/mol
Exact Mass473.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C
InChIInChI=1S/C19H15BrN4O2S2/c1-10-11(2)28-17-16(10)18(26)24(9-21-17)7-15(25)23-19-22-14(8-27-19)12-3-5-13(20)6-4-12/h3-6,8-9H,7H2,1-2H3,(H,22,23,25)
InChIKeyDTNNUMWHABPEIC-UHFFFAOYSA-N
XLogP4.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 44636416
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 30291534
2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 40824481
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55511816
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24594757
N-(4-bromophenyl)-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27540162
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 24591951
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4083820
2-[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 40825169

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 41189976) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1sc2ncn(CC(=O)Nc3nc(-c4ccc(Br)cc4)cs3)c(=O)c2c1C.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is DTNNUMWHABPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2S2/c1-10-11(2)28-17-16(10)18(26)24(9-21-17)7-15(25)23-19-22-14(8-27-19)12-3-5-13(20)6-4-12/h3-6,8-9H,7H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 475.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 41189976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).